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Electronic Structure. https://doi.org/10.1088/2516-1075/acf2d3 Daskin, A., Gupta, R., & Kais, S. (2023). Dimension Reduction and Redundancy Removal through Successive Schmidt Decompositions. Applied Sciences. https://doi.org/10.3390/app13053172 Selvarajan, R., Sajjan, M., Humble, T. S., & Kais, S. (2023). Dimensionality Reduction with Variational Encoders Based on Subsystem Purification. Mathematics. https://doi.org/10.3390/math11224678 Bhatia, A. S., Kais, S., & Alam, M. A. (2023). Federated quanvolutional neural network: a new paradigm for collaborative quantum learning. Quantum Science and Technology. https://doi.org/10.1088/2058-9565/acfc61 Muruganandam, V., Sajjan, M., & Kais, S. (2023, June 9). Foray into the topology of poly-bi-[8]-annulenylene. https://doi.org/10.22541/au.168630127.74843559/v1 Muruganandam, V., Sajjan, M., & Kais, S. (2023). Foray into the topology of poly‐bi‐[8]‐annulenylene. Natural Sciences. https://doi.org/10.1002/ntls.20230015 Gupta, R., Selvarajan, R., Sajjan, M., Levine, R. D., & Kais, S. (2023). Hamiltonian Learning from Time Dynamics Using Variational Algorithms. The Journal of Physical Chemistry A. https://doi.org/10.1021/acs.jpca.2c08993 Sajjan, M., Singh, V., Selvarajan, R., & Kais, S. (2023). Imaginary components of out-of-time-order correlator and information scrambling for navigating the learning landscape of a quantum machine learning model. Physical Review Research. https://doi.org/10.1103/PhysRevResearch.5.013146 Lyu, N., Miano, A., Tsioutsios, I., Cortiñas, R. G., Jung, K., Wang, Y., … Batista, V. S. (2023). Mapping Molecular Hamiltonians into Hamiltonians of Modular cQED Processors. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.3c00620 Kaczmarek, A. Z., Szczȩśniak, D., & Kais, S. (2023). Measurement-Induced Nonlocality for Observers Near a Black Hole. Universe. https://doi.org/10.3390/universe9040199 Sajjan, M., Gupta, R., Kale, S. S., Singh, V., Kumaran, K., & Kais, S. (2023). Physics-Inspired Quantum Simulation of Resonating Valence Bond States─A Prototypical Template for a Spin-Liquid Ground State. The Journal of Physical Chemistry A. https://doi.org/10.1021/acs.jpca.3c05172 Bhatia, A. S., Saggi, M. K., & Kais, S. (2023). Quantum Machine Learning Predicting ADME-Tox Properties in Drug Discovery. Journal of Chemical Information and Modeling. https://doi.org/10.1021/acs.jcim.3c01079 Zhang, Y., Hu, Z., Wang, Y., & Kais, S. (2023). Quantum Simulation of the Radical Pair Dynamics of the Avian Compass. The Journal of Physical Chemistry Letters. https://doi.org/10.1021/acs.jpclett.2c03617 Wang, Y., Mulvihill, E., Hu, Z., Lyu, N., Shivpuje, S., Liu, Y., … Kais, S. (2023). Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.3c00316 Hu, Z., & Kais, S. (2023). The unitary dependence theory for characterizing quantum circuits and states. Communications Physics. https://doi.org/10.1038/s42005-023-01188-y Li, J., Jones, B. A., & Kais, S. (2023). Toward perturbation theory methods on a quantum computer. Science Advances. https://doi.org/10.1126/sciadv.adg4576 Hu, Z., Head-Marsden, K., Mazziotti, D. A., Narang, P., & Kais, S. (2022). A general quantum algorithm for open quantum dynamics demonstrated with the Fenna-Matthews-Olson complex. Quantum. https://doi.org/10.22331/q-2022-05-30-726 Ghosh, K. J. B., Kais, S., & Herschbach, D. R. (2022). Geometrical picture of the electron–electron correlation at the large-D limit. Physical Chemistry Chemical Physics, 24(16), 9298–9307. https://doi.org/10.1039/D2CP00438K Sajjan, M., Alaeian, H., & Kais, S. (2022). Magnetic phases of spatially modulated spin-1 chains in Rydberg excitons: Classical and quantum simulations. The Journal of Chemical Physics. https://doi.org/10.1063/5.0128283 Sajjan, M., Li, J., Selvarajan, R., Sureshbabu, S. H., Kale, S. S., Gupta, R., … Kais, S. (2022). Quantum machine learning for chemistry and physics. Chemical Society Reviews. https://doi.org/10.1039/D2CS00203E Yue, W., Wei, Q., Kais, S., Friedrich, B., & Herschbach, D. (2022). Realization of Heisenberg models of spin systems with polar molecules in pendular states. Physical Chemistry Chemical Physics. https://doi.org/10.1039/D2CP00380E Oh, S., & Kais, S. (2022). Statistical Properties of Bit Strings Sampled from Sycamore Random Quantum Circuits. The Journal of Physical Chemistry Letters. https://doi.org/10.1021/acs.jpclett.2c02045 Oh, S., & Kais, S. (2022). Statistical analysis on random quantum circuit sampling by Sycamore and Zuchongzhi quantum processors. Physical Review A. https://doi.org/10.1103/PhysRevA.106.032433 Verde, A. V., Cremer, P., Kais, S., Mochizuki, K., & Roke, S. (2022). Tribute to Dor Ben-Amotz. The Journal of Physical Chemistry B, 126(16), 2943–2945. https://doi.org/10.1021/acs.jpcb.2c01804 Selvarajan, R., Sajjan, M., & Kais, S. (2022). Variational Quantum Circuits to Prepare Low Energy Symmetry States. Symmetry. https://doi.org/10.3390/sym14030457 Gupta, R., Sajjan, M., Levine, R. D., & Kais, S. (2022). Variational approach to quantum state tomography based on maximal entropy formalism. Physical Chemistry Chemical Physics. https://doi.org/10.1039/D2CP04493E Li, J., & Kais, S. (2021). A universal quantum circuit design for periodical functions. New Journal of Physics, 10. https://doi.org/10.1088/1367-2630/ac2cb4 Kale, S. S., Chen, Y. P., & Kais, S. (2021). Constructive Quantum Interference in Photochemical Reactions. Journal of Chemical Theory and Computation, 11. https://doi.org/10.1021/acs.jctc.1c00826 Gupta, R., Levine, R. D., & Kais, S. (2021). Convergence of a Reconstructed Density Matrix to a Pure State Using the Maximal Entropy Approach. The Journal of Physical Chemistry A, 8. https://doi.org/10.1021/acs.jpca.1c05884 Ghosh, K. J. B., Kais, S., & Herschbach, D. R. (2021). Dimensional Interpolation for Random Walk. The Journal of Physical Chemistry A, 8. https://doi.org/10.1021/acs.jpca.1c05551 Sureshbabu, S. H., Sajjan, M., Oh, S., & Kais, S. (2021). Implementation of Quantum Machine Learning for Electronic Structure Calculations of Periodic Systems on Quantum Computing Devices. Journal of Chemical Information and Modeling, 61(6), 2667–2674. https://doi.org/10.1021/acs.jcim.1c00294 Wilson, B. A., Kudyshev, Z. A., Kildishev, A. V., Kais, S., Shalaev, V. M., & Boltasseva, A. (2021). Machine learning framework for quantum sampling of highly constrained, continuous optimization problems. Applied Physics Reviews. https://doi.org/10.1063/5.0060481 Gupta, R., Xia, R., Levine, R. D., & Kais, S. (2021). Maximal Entropy Approach for Quantum State Tomography. PRX Quantum. https://doi.org/10.1103/PRXQuantum.2.010318 Li, J., Hu, Z., & Kais, S. (2021). Practical quantum encryption protocol with varying encryption configurations. Physical Review Research. https://doi.org/10.1103/PhysRevResearch.3.023251 Sajjan, M., Sureshbabu, S. H., & Kais, S. (2021). Quantum Machine-Learning for Eigenstate Filtration in Two-Dimensional Materials. Journal of the American Chemical Society, 10. https://doi.org/10.1021/jacs.1c06246 Li, J., & Kais, S. (2021). Quantum cluster algorithm for data classification. Materials Theory. https://doi.org/10.1186/s41313-021-00029-1 Bian, T., & Kais, S. (2021). Quantum computing for atomic and molecular resonances. The Journal of Chemical Physics. https://doi.org/10.1063/5.0040477 Li, J., Sajjan, M., Kale, S. S., & Kais, S. (2021). Statistical Correlation Between Quantum Entanglement and Spin–Orbit Coupling in Crossed Beam Molecular Dynamics. Advanced Quantum Technologies. https://doi.org/10.1002/qute.202100098 Moore, A. J., Wang, Y., Hu, Z., Kais, S., & Weiner, A. M. (2021). Statistical approach to quantum phase estimation. New Journal of Physics, 10. https://doi.org/10.1088/1367-2630/ac320d Dixit, V., Selvarajan, R., Aldwairi, T., Koshka, Y., Novotny, M. A., Humble, T. S., … Kais, S. (2022). Training a Quantum Annealing Based Restricted Boltzmann Machine on Cybersecurity Data. IEEE Transactions on Emerging Topics in Computational Intelligence, 6(3), 417–428. https://doi.org/10.1109/TETCI.2021.3074916 Ghosh, K. J. B., Kais, S., & Herschbach, D. R. (2021). Dimensional interpolation for metallic hydrogen. Physical Chemistry Chemical Physics. https://doi.org/10.1039/D0CP05301E Szczęśniak, D., & Kais, S. (2020). Gap states and valley-spin filtering in transition metal dichalcogenide monolayers. Physical Review B. https://doi.org/10.1103/PhysRevB.101.115423 Xia, R., & Kais, S. (2020). Hybrid Quantum-Classical Neural Network for Calculating Ground State Energies of Molecules. Entropy, 22(8), 828. https://doi.org/10.3390/e22080828 Charles, J., Kais, S., & Kubis, T. (2020). Introducing Open Boundary Conditions in Modeling Nonperiodic Materials and Interfaces: The Impact of the Periodicity Assumption. ACS Materials Letters, 2(3), 247–253. https://doi.org/10.1021/acsmaterialslett.9b00523 Xia, R., & Kais, S. (2021). Qubit coupled cluster singles and doubles variational quantum eigensolver ansatz for electronic structure calculations. Quantum Science and Technology, 6(1), 015001. https://doi.org/10.1088/2058-9565/abbc74 El-Mellouhi, F., Madjet, M. E., Berdiyorov, G. R., Bentria, E. T., Rashkeev, S. N., Kais, S., … Alharbi, F. H. (2019). Enhancing the electronic dimensionality of hybrid organic–inorganic frameworks by hydrogen bonded molecular cations. Materials Horizons. https://doi.org/10.1039/C8MH01436A Li, J., & Kais, S. (2019). Entanglement classifier in chemical reactions. Science Advances, 5(8). https://doi.org/10.1126/sciadv.aax5283 Massey, S. C., Ting, P.-C., Yeh, S.-H., Dahlberg, P. D., Sohail, S. H., Allodi, M. A., … Engel, G. S. (2019). Orientational Dynamics of Transition Dipoles and Exciton Relaxation in LH2 from Ultrafast Two-Dimensional Anisotropy. The Journal of Physical Chemistry Letters, 10(2), 270–277. https://doi.org/10.1021/acs.jpclett.8b03223 Lu, H. H., Hu, Z., Alshaykh, M. S., Moore, A. J., Wang, Y., Imany, P., … Kais, S. (2020). Quantum Phase Estimation with Time‐Frequency Qudits in a Single Photon. Advanced Quantum Technologies. https://doi.org/10.1002/qute.201900074 Zhong, J., Carignano, M. A., Kais, S., Zeng, X. C., Francisco, J. S., & Gladich, I. (2018). Tuning the Stereoselectivity and Solvation Selectivity at Interfacial and Bulk Environments by Changing Solvent Polarity: Isomerization of Glyoxal in Different Solvent Environments. Journal of the American Chemical Society, 140(16), 5535–5543. https://doi.org/10.1021/jacs.8b01503 Xia, R., Bian, T., & Kais, S. (2018). Electronic Structure Calculations and the Ising Hamiltonian. The Journal of Physical Chemistry B, 122(13), 3384–3395. https://doi.org/10.1021/acs.jpcb.7b10371 El‐Mellouhi, F., Marzouk, A., Bentria, E. T., Rashkeev, S. N., Kais, S., & Alharbi, F. H. (2016). Hydrogen Bonding and Stability of Hybrid Organic–Inorganic Perovskites. ChemSusChem. https://doi.org/10.1002/cssc.201600864 Wei, Q., Cao, Y., Kais, S., Friedrich, B., & Herschbach, D. (2016). Quantum Computation using Arrays of N Polar Molecules in Pendular States. ChemPhysChem, 17(22), 3714–3722. https://doi.org/10.1002/cphc.201600781 Wang, D., Hoehn, R., Ye, L., & Kais, S. (2015). 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In Advances in Chemical Physics (Vol. 154, pp. 1–38). Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-84897556532&partnerID=MN8TOARS Jovanovic, R., Kais, S., & Alharbi, F. H. (2014). Spectral Method for Solving the Nonlinear Thomas-Fermi Equation Based on Exponential Functions. Journal of Applied Mathematics, 2014, 1–8. https://doi.org/10.1155/2014/168568 Hoehn, R. D., MacK, N., & Kais, S. (2014). Using quantum games to teach quantum mechanics, part 1. Journal of Chemical Education, 91(3), 417–422. https://doi.org/10.1021/ed400385k Hoehn, R. D., MacK, N., & Kais, S. (2014). Using quantum games to teach quantum mechanics, part 2. Journal of Chemical Education, 91(3), 423–427. https://doi.org/10.1021/ed400432y Daskin, A., Grama, A., & Kais, S. (2013). A universal quantum circuit scheme for finding complex eigenvalues. Quantum Information Processing, 1–21. https://doi.org/10.1007/s11128-013-0654-1 Antillon, E., Wehefritz-Kaufmann, B., & Kais, S. (2013). Avalanches in the raise and peel model in the presence of a wall. Journal of Physics A: Mathematical and Theoretical, 46(26). https://doi.org/10.1088/1751-8113/46/26/265001 Faccin, M., Johnson, T., Biamonte, J., Kais, S., & Migdal, P. (2014). Degree distribution in quantum walks on complex networks. Physical Review X, 3(4). https://doi.org/10.1103/PhysRevX.3.041007 Zhu, J., Kais, S., Wei, Q., Herschbach, D., & Friedrich, B. (2013). Implementation of quantum logic gates using polar molecules in pendular states. Journal of Chemical Physics, 138(2). https://doi.org/10.1063/1.4774058 Lemeshko, M., Krems, R. V., Doyle, J. M., & Kais, S. (2013). Manipulation of molecules with electromagnetic fields. Molecular Physics, 111(12-13), 1648–1682. https://doi.org/10.1080/00268976.2013.813595 Sadiek, G., & Kais, S. (2013). Persistence of entanglement in thermal states of spin systems. Journal of Physics B: Atomic, Molecular and Optical Physics, 46(24). https://doi.org/10.1088/0953-4075/46/24/245501 Cao, Y., Papageorgiou, A., Petras, I., Traub, J., & Kais, S. (2013). Quantum algorithm and circuit design solving the Poisson equation. New Journal of Physics, 15. https://doi.org/10.1088/1367-2630/15/1/013021 Pauls, J. A., Zhang, Y., Berman, G. P., & Kais, S. (2013). Quantum coherence and entanglement in the avian compass. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 87(6). https://doi.org/10.1103/PhysRevE.87.062704 Serra, P., Carignano, M. A., Alharbi, F. H., & Kais, S. (2013). Quantum confinement and negative heat capacity. EPL, 104(1). https://doi.org/10.1209/0295-5075/104/16004 Alharbi, F. H., & Kais, S. (2013). Quantum criticality analysis by finite-size scaling and exponential basis sets. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 87(4). https://doi.org/10.1103/PhysRevE.87.043308 Li, A., Wang, J., Ren, N., Wang, P., Zhu, W., Li, X., … Kais, S. (2013). The interference effect of laser-assisted bremsstrahlung emission in Coulomb fields of two nuclei. Journal of Applied Physics, 114(12). https://doi.org/10.1063/1.4822317 Hoehn, R. D., Wang, J., & Kais, S. (2012). Dimensional scaling treatment with relativistic corrections for stable multiply charged atomic ions in high-frequency super-intense laser fields. Journal of Chemical Physics, 136(3). https://doi.org/10.1063/1.3673317 Antillon, E., Wehefritz-Kaufmann, B., & Kais, S. (2012). Finite-size scaling for quantum criticality using the finite-element method. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 85(3). https://doi.org/10.1103/PhysRevE.85.036706 Serra, P., & Kais, S. (2012). Ground-state stability and criticality of two-electron atoms with screened Coulomb potentials using the B-splines basis set. Journal of Physics B: Atomic, Molecular and Optical Physics, 45(23). https://doi.org/10.1088/0953-4075/45/23/235003 Zhu, J., Kais, S., Aspuru-Guzik, A., Rodriques, S., Brock, B., & Love, P. J. (2012). Multipartite quantum entanglement evolution in photosynthetic complexes. Journal of Chemical Physics, 137(7). https://doi.org/10.1063/1.4742333 Yeh, S.-H., Zhu, J., & Kais, S. (2012). Population and coherence dynamics in light harvesting complex II (LH2). Journal of Chemical Physics, 137(8). https://doi.org/10.1063/1.4747622 Cao, Y., Daskin, A., Frankel, S., & Kais, S. (2012). Quantum circuit design for solving linear systems of equations. Molecular Physics, 110(15-16), 1675–1680. https://doi.org/10.1080/00268976.2012.668289 Friedrich, B., Kais, S., & Mazziotti, D. (2012). Scaling mount impossible: A festschrift for Dudley Herschbach. Molecular Physics, 110(15-16). https://doi.org/10.1080/00268976.2012.695049 Sadiek, G., Xu, Q., & Kais, S. (2012). Tuning entanglement and ergodicity in two-dimensional spin systems using impurities and anisotropy. Physical Review A - Atomic, Molecular, and Optical Physics, 85(4). https://doi.org/10.1103/PhysRevA.85.042313 Daskin, A., Grama, A., Kollias, G., & Kais, S. (2012). Universal programmable quantum circuit schemes to emulate an operator. Journal of Chemical Physics, 137(23). https://doi.org/10.1063/1.4772185 Daskin, A., & Kais, S. (2011). Decomposition of unitary matrices for finding quantum circuits: Application to molecular Hamiltonians. Journal of Chemical Physics, 134(14). https://doi.org/10.1063/1.3575402 Xu, Q., Sadiek, G., & Kais, S. (2011). Dynamics of entanglement in a two-dimensional spin system. Physical Review A - Atomic, Molecular, and Optical Physics, 83(6). https://doi.org/10.1103/PhysRevA.83.062312 Alkurtass, B., Sadiek, G., & Kais, S. (2011). Entanglement dynamics of one-dimensional driven spin systems in time-varying magnetic fields. Physical Review A - Atomic, Molecular, and Optical Physics, 84(2). https://doi.org/10.1103/PhysRevA.84.022314 Wei, Q., Kais, S., Friedrich, B., & Herschbach, D. (2011). Entanglement of polar molecules in pendular states. Journal of Chemical Physics, 134(12). https://doi.org/10.1063/1.3567486 Wei, Q., Kais, S., Friedrich, B., & Herschbach, D. (2011). Entanglement of polar symmetric top molecules as candidate qubits. Journal of Chemical Physics, 135(15). https://doi.org/10.1063/1.3649949 Daskin, A., & Kais, S. (2011). Group leaders optimization algorithm. Molecular Physics, 109(5), 761–772. https://doi.org/10.1080/00268976.2011.552444 Zhu, J., Kais, S., Rebentrost, P., & Aspuru-Guzik, A. (2011). Modified scaled hierarchical equation of motion approach for the study of quantum coherence in photosynthetic complexes. Journal of Physical Chemistry B, 115(6), 1531–1537. https://doi.org/10.1021/jp109559p Lemeshko, M., Mustafa, M., Kais, S., & Friedrich, B. (2011). Supersymmetric factorization yields exact solutions to the molecular Stark-effect problem for stretched states. Physical Review A - Atomic, Molecular, and Optical Physics, 83(4). https://doi.org/10.1103/PhysRevA.83.043415 Lemeshko, M., Mustafa, M., Kais, S., & Friedrich, B. (2011). Supersymmetry identifies molecular Stark states whose eigenproperties can be obtained analytically. New Journal of Physics, 13. https://doi.org/10.1088/1367-2630/13/6/063036 Wei, Q., Kais, S., & Chen, Y. P. (2010). Communications: Entanglement switch for dipole arrays. Journal of Chemical Physics, 132(12). https://doi.org/10.1063/1.3366522 Xu, Q., Kais, S., Naumov, M., & Sameh, A. (2010). Exact calculation of entanglement in a 19-site two-dimensional spin system. Physical Review A - Atomic, Molecular, and Optical Physics, 81(2). https://doi.org/10.1103/PhysRevA.81.022324 Antillon, E., Moy, W., Wei, Q., & Kais, S. (2009). Comparison study of finite element and basis set methods for finite size scaling. Journal of Chemical Physics, 131(10). https://doi.org/10.1063/1.3207909 Zhu, J., Huang, Z., & Kais, S. (2009). Simulated quantum computation of global minima. Molecular Physics, 107(19), 2015–2023. https://doi.org/10.1080/00268970903117126 Du, S., Francisco, J. S., & Kais, S. (2009). Study of electronic structure and dynamics of interacting free radicals influenced by water. Journal of Chemical Physics, 130(12). https://doi.org/10.1063/1.3100549 Carignano, M. A., Mohammad, A., & Kais, S. (2009). Temperature dependent electron binding in (H2O)8. Journal of Physical Chemistry A, 113(41), 10886–10890. https://doi.org/10.1021/jp901047y Ferrón, A., Serra, P., & Kais, S. (2008). Critical conditions for stable dipole-bound dianions. 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Stability conditions for hydrogen-antihydrogen-like quasimolecules. Physical Review A - Atomic, Molecular, and Optical Physics, 77(5). https://doi.org/10.1103/PhysRevA.77.052505 Kais, S. (2007). Chapter 18: Entanglement, electron correlation, and density matrices. In Advances in Chemical Physics (Vol. 134, pp. 493–535). Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-34247532062&partnerID=MN8TOARS Wei, Q., Kais, S., & Herschbach, D. (2007). Dimensional scaling treatment of stability of atomic anions induced by superintense, high-frequency laser fields. Journal of Chemical Physics, 127(9). https://doi.org/10.1063/1.2768037 Wei, Q., Kais, S., & Moiseyev, N. (2007). Frequency-dependent stabilization of He- by a superintense laser field. Physical Review A - Atomic, Molecular, and Optical Physics, 76(1). https://doi.org/10.1103/PhysRevA.76.013407 Peskin, U., Huang, Z., & Kais, S. (2007). Internal entanglement amplification by external interactions. Physical Review A - Atomic, Molecular, and Optical Physics, 76(1). https://doi.org/10.1103/PhysRevA.76.012102 Wang, H., & Kais, S. (2007). Quantum entanglement and electron correlation in molecular systems. Israel Journal of Chemistry, 47(1), 59–65. https://doi.org/10.1560/IJC.47.1.59 Huang, Z., Wang, H., & Kais, S. (2006). Entanglement and electron correlation in quantum chemistry calculations. Journal of Modern Optics, 53(16-17), 2543–2558. https://doi.org/10.1080/09500340600955674 Wang, H., & Kais, S. (2006). Entanglement and quantum phase transition in a one-dimensional system of quantum dots with disorder. International Journal of Quantum Information, 4(5), 827–835. https://doi.org/10.1142/S0219749906002183 Huang, Z., & Kais, S. (2006). Entanglement evolution of one-dimensional spin systems in external magnetic fields. Physical Review A - Atomic, Molecular, and Optical Physics, 73(2). https://doi.org/10.1103/PhysRevA.73.022339 Wei, Q., Kais, S., & Moiseyev, N. (2006). New stable multiply charged negative atomic ions in linearly polarized superintense laser fields. Journal of Chemical Physics, 124(20). https://doi.org/10.1063/1.2207619 Kais, S., Wenger, C., & Wei, Q. (2006). Quantum criticality at the infinite complete basis set limit: A thermodynamic analog of the Yang and Lee theorem. Chemical Physics Letters, 423(1-3), 45–49. https://doi.org/10.1016/j.cplett.2006.03.035 Wang, H., & Kais, S. (2006). Quantum teleportation in one-dimensional quantum dots system. Chemical Physics Letters, 421(4-6), 338–342. https://doi.org/10.1016/j.cplett.2006.01.093 Huang, Z., Sadiek, G., & Kais, S. (2006). Time evolution of a single spin inhomogeneously coupled to an interacting spin environment. Journal of Chemical Physics, 124(14). https://doi.org/10.1063/1.2192778 Huang, Z., & Kais, S. (2005). Dynamics of entaglement for one-dimensional spin system in an external time-dependent magnetic field. International Journal of Quantum Information, 3(3), 483–500. https://doi.org/10.1142/S0219749905001055 Huang, Z., & Kais, S. (2005). Entanglement as measure of electron-electron correlation in quantum chemistry calculations. Chemical Physics Letters, 413(1-3), 1–5. https://doi.org/10.1016/j.cplett.2005.07.045 Shi, Q., Kais, S., & Francisco, J. S. (2005). Graph theory for fused cubic clusters of water dodecamer. Journal of Physical Chemistry A, 109(51), 12036–12045. https://doi.org/10.1021/jp0550154 Shi, Q., & Kais, S. (2005). Discontinuity of Shannon information entropy for two-electron atoms. Chemical Physics, 309(2-3), 127–131. https://doi.org/10.1016/j.chemphys.2004.08.020 Shi, Q., Kais, S., & Herschbach, D. R. (2004). Electron localization-delocalization transitions in dissociation of the C 4 - anion: A large-D analysis. Journal of Chemical Physics, 120(5), 2199–2207. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-1442355587&partnerID=MN8TOARS Huang, Z., Osenda, O., & Kais, S. (2004). Entanglement of formation for one-dimensional magnetic systems with defects. Physics Letters, Section A: General, Atomic and Solid State Physics, 322(3-4), 137–145. https://doi.org/10.1016/j.physleta.2004.01.022 Shi, Q., & Kais, S. (2004). Finite size scaling for the atomic Shannon-information entropy. Journal of Chemical Physics, 121(12), 5611–5617. https://doi.org/10.1063/1.1785773 Ferrón, A., Serra, P., & Kais, S. (2004). Finite-size scaling for critical conditions for stable quadrupole-bound anions. Journal of Chemical Physics, 120(18), 8412–8419. https://doi.org/10.1063/1.1695552 Wang, J., & Kais, S. (2004). Scaling of entanglement at a quantum phase transition for a two-dimensional array of quantum dots. Physical Review A - Atomic, Molecular, and Optical Physics, 70(2). https://doi.org/10.1103/PhysRevA.70.022301 Wang, J., & Kais, S. (2003). Combined effects of disorders and electron-electron interactions upon metal-insulator transition in 2D nonbipartite lattice. Physics Letters, Section A: General, Atomic and Solid State Physics, 316(3-4), 265–270. https://doi.org/10.1016/j.physleta.2003.08.002 Serra, P., & Kais, S. (2003). Finite size scaling for critical conditions for stable dipole-bound anions. Chemical Physics Letters, 372(1-2), 205–209. https://doi.org/10.1016/S0009-2614(03)00371-3 Kais, S., & Serra, P. (2003). Finite-size scaling for atomic and molecular systems. In Advances in Chemical Physics (Vol. 125, pp. 1–99). Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-1442347461&partnerID=MN8TOARS Wang, J. X., & Kais, S. (2003). Metal-insulator transition in the hubbard model on a triangular lattice with disorders: Renormalization group approach. International Journal of Quantum Chemistry, 93(5), 360–374. https://doi.org/10.1002/qua.10572 Shi, Q., Belair, S. D., Francisco, J. S., & Kais, S. (2003). On the interactions between atmospheric radicals and cloud droplets: A molecular picture of the interface. Proceedings of the National Academy of Sciences of the United States of America, 100(17), 9686–9690. https://doi.org/10.1073/pnas.1733696100 Osenda, O., Huang, Z., & Kais, S. (2003). Tuning the entanglement for a one-dimensional magnetic system with anisotropic coupling and impurities. Physical Review A - Atomic, Molecular, and Optical Physics, 67(6), 623211–623214. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0041508929&partnerID=MN8TOARS Kais, S. (2002). Finite size scaling in quantum mechanics. 2002 International Conference on Computational Nanoscience and Nanotechnology - ICCN 2002, 474–477. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-6344246156&partnerID=MN8TOARS Wang, J. X., & Kais, S. (2002). Finite-size scaling for Mott metal-insulator transition on a half filled nonpartite lattice. Physical Review B - Condensed Matter and Materials Physics, 66(8), 811011–811014. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0037104287&partnerID=MN8TOARS Shi, Q., & Kais, S. (2002). Lifetimes of metastable spherical carbon cluster dianions. Molecular Physics, 100(4), 475–481. https://doi.org/10.1080/00268970110086327 Belair, S. D., Kais, S., & Francisco, J. S. (2002). Potential energy surface for the hydroperoxy and water (HO2·H2O) radical complex. Molecular Physics, 100(2), 247–253. https://doi.org/10.1080/00268970110086309 Wang, J. X., Kais, S., & Levine, R. D. (2002). Real-space renormalization group study of the Hubbard model on anon-bipartite lattice. International Journal of Molecular Sciences, 3(1), 4–16. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0002567832&partnerID=MN8TOARS Wang, J. X., Kais, S., Remade, F., & Levine, R. D. (2002). Size effects in the electronic properties of finite arrays of exchange-coupled quantum dots. Journal of Physical Chemistry B, 106(50), 12847–12850. https://doi.org/10.1021/jp026452a Shi, Q., & Kais, S. (2002). The repulsive Coulomb barrier along a dissociation path of the BeC4 2- dianion. Journal of the American Chemical Society, 124(39), 11723–11729. https://doi.org/10.1021/ja020116q Serra, P., Kais, S., & Moiseyev, N. (2001). Crossover phenomena and resonances in quantum systems. Physical Review A. Atomic, Molecular, and Optical Physics, 64(6). Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0035676058&partnerID=MN8TOARS Shi, Q., Kais, S., Remacle, F., & Levine, R. D. (2001). Electronic isomerism: Symmetry breaking and electronic phase diagrams for diatomic molecules at the large-dimension limit. ChemPhysChem, 2(7), 434–442. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-1442298441&partnerID=MN8TOARS Shi, Q., Kais, S., Remacle, F., & Levine, R. D. (2001). On the crossing of electronic energy levels of diatomic molecules at the large-D limit. Journal of Chemical Physics, 114(22), 9697–9705. https://doi.org/10.1063/1.1372181 Sauerwein, R. A., & Kais, S. (2001). Quantum critical phenomena in the Schrödinger formulation: Mapping to classical lattices. Chemical Physics Letters, 333(6), 451–458. https://doi.org/10.1016/S0009-2614(00)01411-1 Shi, Q., & Kais, S. (2001). Quantum criticality at the large-dimensional limit: Three-body Coulomb systems. International Journal of Quantum Chemistry, 85(4-5), 307–314. https://doi.org/10.1002/qua.1542 Sauerwein, R. A., & Kais, S. (2001). Quantum criticality for few-body systems: Path-integral approach. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 64(5 II). Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-17944389944&partnerID=MN8TOARS Sergeev, A. V., & Kais, S. (2001). Resonance states of atomic anions. International Journal of Quantum Chemistry, 82(5), 255–261. https://doi.org/10.1002/qua.1047 Nigra, P., Carignano, M. A., & Kais, S. (2001). Study of phase changes of the water octamer using parallel tempering and multihistogram methods. Journal of Chemical Physics, 115(6), 2621–2628. https://doi.org/10.1063/1.1385795 Ladadwa, I., & Kais, S. (2000). Critical behavior of electron impact ionization of atoms. International Journal of Quantum Chemistry, 80(4-5), 575–581. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0034320032&partnerID=MN8TOARS Serra, P., & Kais, S. (2000). Data collapse for the Schrödinger equation. Chemical Physics Letters, 319(3-4), 273–277. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0011059885&partnerID=MN8TOARS Shi, Q., & Kais, S. (2000). Finite size scaling for critical parameters of simple diatomic molecules. Molecular Physics, 98(19), 1485–1493. https://doi.org/10.1080/002689700419716 Serra, P., Kais, S., & Neirotti, J. P. (2000). Finite-size scaling method for the stability of atomic and molecular ions. Physica A: Statistical Mechanics and Its Applications, 283(1), 65–73. https://doi.org/10.1016/S0378-4371(00)00129-1 Kais, S., & Serra, P. (2000). Quantum critical phenomena and stability of atomic and molecular ions. International Reviews in Physical Chemistry, 19(1), 97–121. https://doi.org/10.1080/014423500229873 Kais, S., & Shi, Q. (2000). Quantum criticality and stability of three-body Coulomb systems. Physical Review A - Atomic, Molecular, and Optical Physics, 62(6), 060502–060501. https://doi.org/10.1103/PhysRevA.62.060502 Sergeev, A. V., & Kais, S. (1999). Critical nuclear charges for n-electron atoms. International Journal of Quantum Chemistry, 75(4-5), 533–542. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0001530336&partnerID=MN8TOARS Nigra, P., & Kais, S. (1999). Pivot method for global optimization: A study of water clusters (H2O)N with 2 ≤ N ≤ 33. Chemical Physics Letters, 305(5-6), 433–438. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0000564441&partnerID=MN8TOARS Sergeev, A. V., & Kais, S. (1999). Variational principle for critical parameters of quantum systems. Journal of Physics A: Mathematical and General, 32(39), 6891–6896. https://doi.org/10.1088/0305-4470/32/39/312 Neirotti, J. P., Serra, P., & Kais, S. (1998). Critical parameters for the heliumlike atoms: A phenomenological renormalization study. Journal of Chemical Physics, 108(7), 2765–2770. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-5544224963&partnerID=MN8TOARS Serra, P., Neirotti, J. P., & Kais, S. (1998). Electronic structure critical parameters for the lithium isoelectronic series. Physical Review Letters, 80(24), 5293–5296. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0001419331&partnerID=MN8TOARS El-Batanouny, M., Murthy, G., Willis, C. R., Kais, S., & Staemmler, V. (1998). Feasibility of measuring surface electron spin dynamics by inelastic scattering of metastable helium atoms. Physical Review B - Condensed Matter and Materials Physics, 58(11), 7391–7402. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0009664243&partnerID=MN8TOARS Serra, P., Neirotti, J. P., & Kais, S. (1998). Finite size scaling in quantum mechanics. Journal of Physical Chemistry A, 102(47), 9518–9522. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0006789264&partnerID=MN8TOARS Serra, P., Neirotti, J. P., & Kais, S. (1998). Finite-size scaling approach for the Schrödinger equation. Physical Review A - Atomic, Molecular, and Optical Physics, 57(3). Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0000576810&partnerID=MN8TOARS Shi, Q., Zhang, S., Cho, H., Xu, K., Li, J.-M., & Kais, S. (1998). Relativistic structure description and relaxation effect on krypton 4p5(2P3/2,1/2)5s excitation at small squared momentum transfer. Journal of Physics B: Atomic, Molecular and Optical Physics, 31(18), 4123–4135. https://doi.org/10.1088/0953-4075/31/18/010 Murthy, G., & Kais, S. (1998). Renormalization group approach for electronic excitations in atoms. Chemical Physics Letters, 290(1-3), 199–204. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0032568710&partnerID=MN8TOARS Stanton, A. F., Bleil, R. E., & Kais, S. (1997). A new approach to global minimization. Journal of Computational Chemistry, 18(4), 594–599. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0005658571&partnerID=MN8TOARS Serra, P., Stanton, A. F., Kais, S., & Bleil, R. E. (1997). Comparison study of pivot methods for global optimization. Journal of Chemical Physics, 106(17), 7170–7177. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0000591831&partnerID=MN8TOARS Germann, T. C., & Kais, S. (1997). Dimensional perturbation theory for Regge poles. Journal of Chemical Physics, 106(2), 599–604. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0001056898&partnerID=MN8TOARS Neirotti, J. P., Serra, P., & Kais, S. (1997). Electronic structure critical parameters from finite-size scaling. Physical Review Letters, 79(17), 3142–3145. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0031588258&partnerID=MN8TOARS Chen, Q., Chen, H., Kais, S., & Freiser, B. S. (1997). Gas-phase reactions of Fe(CH2O)+ and Fe(CH2S)+ with small alkanes: An experimental and theoretical study. Journal of the American Chemical Society, 119(52), 12879–12888. https://doi.org/10.1021/ja964234n March, N. H., & Kais, S. (1997). Kinetic energy functional derivative for the Thomas-Fermi atom in D dimensions. International Journal of Quantum Chemistry, 65(5), 411–413. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-5444263126&partnerID=MN8TOARS Serra, P., & Kais, S. (1997). Mean field phase diagrams for one-electron molecules. Journal of Physics A: Mathematical and General, 30(5), 1483–1493. https://doi.org/10.1088/0305-4470/30/5/016 Serra, P., & Kais, S. (1997). Phase transitions for N-electron atoms at the large-dimension limit. Physical Review A - Atomic, Molecular, and Optical Physics, 55(1), 238–247. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-4243427253&partnerID=MN8TOARS Serra, P., Stanton, A. F., & Kais, S. (1997). Pivot method for global optimization. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, 55(1 SUPPL. B), 1162–1165. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0001166671&partnerID=MN8TOARS Serra, P., & Kais, S. (1997). Symmetry breaking and stability of binary clusters. Chemical Physics Letters, 275(3-4), 211–214. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0031590122&partnerID=MN8TOARS Serra, P., & Kais, S. (1996). Critical phenomena for electronic structure at the large-dimension limit. Physical Review Letters, 77(3), 466–469. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0001140973&partnerID=MN8TOARS Serra, P., & Kais, S. (1996). Multicritical phenomena for the hydrogen molecule at the large-dimension limit. Chemical Physics Letters, 260(1-2), 302–308. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0030595193&partnerID=MN8TOARS Kais, S., & Bleil, R. (1995). Charge renormalization at the large-D limit for N-electron atoms and weakly bound systems. The Journal of Chemical Physics, 102(19), 7472–7478. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0000775704&partnerID=MN8TOARS Bleil, R., Faliks, A., Miletic, M., & Kais, S. (1995). Charge renormalization at the large-D limit for diatomic molecules. The Journal of Chemical Physics, 103(15), 6529–6535. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0345999500&partnerID=MN8TOARS Kais, S., Germann, T. C., & Herschbach, D. R. (1994). Large-dimension limit yields generic reduced potential curves for H2 +, H2, HHe+, and He2+. Journal of Physical Chemistry, 98(43), 11015–11017. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0028521701&partnerID=MN8TOARS Lacks, D. J., & Kais, S. (1994). Statistical model for delocalized π bonding in the C60 molecule. Chemical Physics Letters, 218(3), 229–233. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-43949148854&partnerID=MN8TOARS Bleil, R., Tao, F.-M., & Kais, S. (1994). Structure and stability of C13 carbon clusters. Chemical Physics Letters, 229(4-5), 491–494. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0001529521&partnerID=MN8TOARS Kais, S., & Herschbach, D. R. (1994). The 1/Z expansion and renormalization of the large-dimension limit for many-electron atoms. The Journal of Chemical Physics, 100(6), 4367–4376. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0001104850&partnerID=MN8TOARS Kais, S., Sung, S. M., & Herschbach, D. R. (1993). Atomic energies from renormalization of the large-dimension limit. The Journal of Chemical Physics, 99(7), 5184–5196. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0000831132&partnerID=MN8TOARS Kais, S., Herschbach, D. R., Handy, N. C., Murray, C. W., & Laming, G. J. (1993). Density functionals and dimensional renormalization for an exactly solvable model. The Journal of Chemical Physics, 99(1), 417–425. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0011498998&partnerID=MN8TOARS Kais, S., & Beltrame, G. (1993). Dimensional scaling for Regge trajectories. Journal of Physical Chemistry, 97(10), 2453–2456. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0011405367&partnerID=MN8TOARS Kais, S., & Herschbach, D. R. (1993). Dimensional scaling for quasistationary states. The Journal of Chemical Physics, 98(5), 3990–3998. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0000261521&partnerID=MN8TOARS Germann, T. C., & Kais, S. (1993). Large order dimensional perturbation theory for complex energy eigenvalues. The Journal of Chemical Physics, 99(10), 7739–7747. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-36449008617&partnerID=MN8TOARS Kais, S., Frantz, D. D., & Herschbach, D. R. (1992). Electronic tunneling in H+ 2 evaluated from the large-dimension limit. Chemical Physics, 161(3), 393–402. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0011503574&partnerID=MN8TOARS Loeser, J. G., Zhen, Z., Kais, S., & Herschbach, D. R. (1991). Dimensional interpolation of hard sphere virial coefficients. The Journal of Chemical Physics, 95(6), 4525–4544. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0000610001&partnerID=MN8TOARS Electronic tunneling and exchange energy in the D-dimensional hydrogen-molecule ion. (1991). The Journal of Chemical Physics, 95(12), 9028–9041. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0345998565&partnerID=MN8TOARS Kais, S., & Levine, R. D. (1990). Coherent states for the Morse oscillator. Physical Review A, 41(5), 2301–2305. https://doi.org/10.1103/PhysRevA.41.2301 Kais, S., Herschbach, D. R., & Levine, R. D. (1989). Dimensional scaling as a symmetry operation. The Journal of Chemical Physics, 91(12), 7791–7796. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0000290618&partnerID=MN8TOARS Kais, S., Cohen, M., & Levine, R. D. (1989). The perturbed hydrogen atom: Some new algebraic results. Journal of Physics A: Mathematical and General, 22(7), 803–809. https://doi.org/10.1088/0305-4470/22/7/012 Kais, S., & Levine, R. D. (1987). Directed states of molecules. Journal of Physical Chemistry, 91(21), 5462–5465. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-0039646468&partnerID=MN8TOARS Gilmore, R., Kais, S., & Levine, R. D. (1986). Quantum cusp. Physical Review A, 34(3), 2442–2452. https://doi.org/10.1103/PhysRevA.34.2442 Cohen, M., & Kais, S. (1986). Rayleigh-Schrodinger perturbation theory with a strong perturbation: Anharmonic oscillators. Journal of Physics A: Mathematical and General, 19(5), 683–690. https://doi.org/10.1088/0305-4470/19/5/021 Kais, S., & Levine, R. D. (1986). Square-well potential by an algebraic approach. Physical Review A, 34(6), 4615–4620. https://doi.org/10.1103/PhysRevA.34.4615 Kais, S., & Kim, S. K. (1986). Unstable bound states of the Dirac equation by an algebraic approach. Physics Letters A, 114(4), 165–167. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-46149136767&partnerID=MN8TOARS Kais, S. (1985). Unstable bound states by an algebraic method. Physics Letters A, 112(6-7), 269–270. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-46549090640&partnerID=MN8TOARS Cohen, M., & Kais, S. (1984). Rayleigh-Schrodinger perturbation theory with a strong perturbation: The quadratic Zeeman effect in hydrogen. Journal of Physics B: Atomic and Molecular Physics, 17(15), 3049–3055. https://doi.org/10.1088/0022-3700/17/15/018 Cohen, M., & Kais, S. (1984). Scaling, renormalisation and accuracy of perturbation calculations. Chemical Physics Letters, 105(3), 295–298. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-48749136166&partnerID=MN8TOARS Cohen, M., Feldmann, T., & Kais, S. (1984). Stark effect of a rigid rotor. Journal of Physics B: Atomic and Molecular Physics, 17(17), 3535–3544. https://doi.org/10.1088/0022-3700/17/17/023