@article{zhou_scemama_wang_annaberdiyev_kincaid_caffarel_mitas_2022, title={A quantum Monte Carlo study of systems with effective core potentials and node nonlinearities}, DOI={10.1016/j.chemphys.2021.111402}, journal={CHEMICAL PHYSICS}, author={Zhou, Haihan and Scemama, Anthony and Wang, Guangming and Annaberdiyev, Abdulgani and Kincaid, Benjamin and Caffarel, Michel and Mitas, Lubos}, year={2022}, month={Feb} } @article{bennett_reboredo_mitas_krogel_2022, title={High Accuracy Transition Metal Effective Cores for the Many-Body Diffusion Monte Carlo Method}, DOI={10.1021/acs.jctc.1c00992}, journal={JOURNAL OF CHEMICAL THEORY AND COMPUTATION}, author={Bennett, M. Chandler and Reboredo, Fernando A. and Mitas, Lubos and Krogel, Jaron T.}, year={2022}, month={Jan} } @article{mitas_annaberdiyev_2022, title={Weighted nodal domain averages of eigenstates for quantum Monte Carlo and beyond}, DOI={10.1016/j.chemphys.2022.111483}, journal={CHEMICAL PHYSICS}, author={Mitas, Lubos and Annaberdiyev, Abdulgani}, year={2022}, month={May} } @article{annaberdiyev_wang_melton_bennett_mitas_2021, title={Cohesion and excitations of diamond-structure silicon by quantum Monte Carlo: Benchmarks and control of systematic biases}, DOI={10.1103/PhysRevB.103.205206}, journal={PHYSICAL REVIEW B}, author={Annaberdiyev, Abdulgani and Wang, Guangming and Melton, Cody A. and Bennett, M. Chandler and Mitas, Lubos}, year={2021}, month={May} } @article{annaberdiyev_melton_bennett_wang_mitas_2020, title={Accurate Atomic Correlation and Total Energies for Correlation Consistent Effective Core Potentials}, volume={16}, ISBN={1549-9626}, DOI={10.1021/acs.jctc.9b00962}, number={3}, journal={JOURNAL OF CHEMICAL THEORY AND COMPUTATION}, author={Annaberdiyev, Abdulgani and Melton, Cody A. and Bennett, M. Chandler and Wang, Guangming and Mitas, Lubos}, year={2020}, month={Mar}, pages={1482–1502} } @article{wang_annaberdiyev_mitas_2020, title={Binding and excitations in SixHy molecular systems using quantum Monte Carlo}, volume={153}, ISBN={1089-7690}, DOI={10.1063/5.0022814}, number={14}, journal={JOURNAL OF CHEMICAL PHYSICS}, author={Wang, Guangming and Annaberdiyev, Abdulgani and Mitas, Lubos}, year={2020} } @article{dubecky_karlicky_minarik_mitas_2020, title={Fundamental gap of fluorographene by many-body GW and fixed-node diffusion Monte Carlo methods}, volume={153}, ISBN={1089-7690}, DOI={10.1063/5.0030952}, number={18}, journal={JOURNAL OF CHEMICAL PHYSICS}, author={Dubecky, Matus and Karlicky, Frantisek and Minarik, Stanislav and Mitas, Lubos}, year={2020} } @article{melton_mitas_2020, title={Many-body electronic structure of LaScO3 by real-space quantum Monte Carlo}, volume={102}, ISBN={2469-9969}, DOI={10.1103/PhysRevB.102.045103}, number={4}, journal={PHYSICAL REVIEW B}, author={Melton, Cody A. and Mitas, Lubos}, year={2020} } @article{kent_annaberdiyev_benali_bennett_borda_doak_hao_jordan_krogel_kylanpaa_et al._2020, title={QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo}, volume={152}, ISBN={1089-7690}, DOI={10.1063/5.0004860}, number={17}, journal={JOURNAL OF CHEMICAL PHYSICS}, author={Kent, P. R. C. and Annaberdiyev, Abdulgani and Benali, Anouar and Bennett, M. Chandler and Borda, Edgar Josue Landinez and Doak, Peter and Hao, Hongxia and Jordan, Kenneth D. and Krogel, Jaron T. and Kylanpaa, Ilkka and et al.}, year={2020} } @article{wang_annaberdiyev_melton_bennett_shulenburger_mitas_2019, title={A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions}, volume={151}, ISBN={1089-7690}, DOI={10.1063/1.5121006}, number={14}, journal={JOURNAL OF CHEMICAL PHYSICS}, author={Wang, Guangming and Annaberdiyev, Abdulgani and Melton, Cody A. and Bennett, M. Chandler and Shulenburger, Luke and Mitas, Lubos}, year={2019} } @article{kulahlioglu_mitas_2019, title={A quantum Monte Carlo study of the molybdenum dimer (Mo-2)}, volume={1170}, ISBN={1872-7999}, DOI={10.1016/j.comptc.2019.112642}, journal={COMPUTATIONAL AND THEORETICAL CHEMISTRY}, author={Kulahlioglu, Adem Halil and Mitas, Lubos}, year={2019} } @article{frank_derian_tokar_mitas_fabian_stich_2019, title={Many-Body Quantum Monte Carlo Study of 2D Materials: Cohesion and Band Gap in Single-Layer Phosphorene}, volume={9}, DOI={10.1103/PhysRevX.9.011018}, number={1}, journal={PHYSICAL REVIEW X}, author={Frank, T. and Derian, R. and Tokar, K. and Mitas, L. and Fabian, J. and Stich, I.}, year={2019} } @article{melton_bennett_mitas_2019, title={Projector quantum Monte Carlo with averaged vs explicit spin-orbit effects: Applications to tungsten molecular systems}, volume={128}, ISBN={1879-2553}, DOI={10.1016/j.jpcs.2017.12.033}, journal={JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS}, author={Melton, Cody A. and Bennett, M. Chandler and Mitas, Lubos}, year={2019}, month={May}, pages={367–373} } @article{alberi_nardelli_zakutayev_mitas_curtarolo_jain_fornari_marzari_takeuchi_green_et al._2019, title={The 2019 materials by design roadmap}, volume={52}, DOI={10.1088/1361-6463/aad926}, number={1}, journal={JOURNAL OF PHYSICS D-APPLIED PHYSICS}, author={Alberi, Kirstin and Nardelli, Marco Buongiorno and Zakutayev, Andriy and Mitas, Lubos and Curtarolo, Stefano and Jain, Anubhav and Fornari, Marco and Marzari, Nicola and Takeuchi, Ichiro and Green, Martin L. and et al.}, year={2019} } @article{dubecky_jurecka_mitas_ditte_fanta_2019, title={Toward Accurate Hydrogen Bonds by Scalable Quantum Monte Carlo}, volume={15}, ISBN={1549-9626}, DOI={10.1021/acs.jctc.9b00096}, number={6}, journal={JOURNAL OF CHEMICAL THEORY AND COMPUTATION}, author={Dubecky, Matus and Jurecka, Petr and Mitas, Lubos and Ditte, Matej and Fanta, Roman}, year={2019}, month={Jun}, pages={3552–3557} } @article{bennett_wang_annaberdiyev_melton_shulenburger_mitas_2018, title={A new generation of effective core potentials from correlated calculations: 2nd row elements}, volume={149}, DOI={10.1063/1.5038135}, number={10}, journal={JOURNAL OF CHEMICAL PHYSICS}, author={Bennett, M. Chandler and Wang, Guangming and Annaberdiyev, Abdulgani and Melton, Cody A. and Shulenburger, Luke and Mitas, Lubos}, year={2018} } @article{annaberdiyev_wang_melton_bennett_shulenburger_mitas_2018, title={A new generation of effective core potentials from correlated calculations: 3d transition metal series}, volume={149}, DOI={10.1063/1.5040472}, number={13}, journal={JOURNAL OF CHEMICAL PHYSICS}, author={Annaberdiyev, Abdulgani and Wang, Guangming and Melton, Cody A. and Bennett, M. Chandler and Shulenburger, Luke and Mitas, Lubos}, year={2018} } @article{bennett_melton_annaberdiyev_wang_shulenburger_mitas_2017, title={A new generation of effective core potentials for correlated calculations}, volume={147}, DOI={10.1063/1.4995643}, number={22}, journal={Journal of Chemical Physics}, author={Bennett, M. C. and Melton, C. A. and Annaberdiyev, A. and Wang, G. M. and Shulenburger, L. and Mitas, L.}, year={2017} } @article{bennett_kulahlioglu_mitas_2017, title={A quantum Monte Carlo study of mono(benzene) TM and bis(benzene) TM systems}, volume={667}, DOI={10.1016/j.cplett.2016.11.032}, journal={Chemical Physics Letters}, author={Bennett, M. C. and Kulahlioglu, A. H. and Mitas, L.}, year={2017}, pages={74–78} } @article{melton_mitas_2017, title={Quantum Monte Carlo with variable spins: Fixed-phase and fixed-node approximations}, volume={96}, DOI={10.1103/physreve.96.043305}, number={4}, journal={Physical Review E}, author={Melton, C. A. and Mitas, L.}, year={2017} } @article{tokar_derian_mitas_stich_2016, title={Charged vanadium-benzene multidecker clusters: DFT and quantum Monte Carlo study}, volume={144}, DOI={10.1063/1.4941085}, number={6}, journal={Journal of Chemical Physics}, author={Tokar, K. and Derian, R. and Mitas, L. and Stich, I.}, year={2016} } @inproceedings{melton_mitas_2016, title={Fixed-node and fixed-phase approximations and their relationship to variable spins in quantum monte carlo}, volume={1234}, DOI={10.1021/bk-2016-1234.ch001}, booktitle={Recent progress in quantum monte carlo}, author={Melton, C. A. and Mitas, L.}, year={2016}, pages={1–13} } @article{niu_dinan_tirukkovalur_benali_kim_mitas_wagner_sadayappan_2016, title={Global-view coefficients: a data management solution for parallel quantum Monte Carlo applications}, volume={28}, DOI={10.1002/cpe.3748}, number={13}, journal={Concurrency and Computation-Practice & Experience}, author={Niu, Q. P. and Dinan, J. and Tirukkovalur, S. and Benali, A. and Kim, J. and Mitas, L. and Wagner, L. and Sadayappan, P.}, year={2016}, pages={3655–3671} } @misc{dubecky_mitas_jurecka_2016, title={Noncovalent interactions by quantum Monte Carlo}, volume={116}, DOI={10.1021/acs.chemrev.5b00577}, number={9}, journal={Chemical Reviews}, author={Dubecky, M. and Mitas, L. and Jurecka, P.}, year={2016}, pages={5188–5215} } @article{melton_bennett_mitas_2016, title={Quantum Monte Carlo with variable spins}, volume={144}, DOI={10.1063/1.4954726}, number={24}, journal={Journal of Chemical Physics}, author={Melton, C. A. and Bennett, M. C. and Mitas, L.}, year={2016} } @article{melton_zhu_guo_ambrosetti_pederiva_mitas_2016, title={Spin-orbit interactions in electronic structure quantum Monte Carlo methods}, volume={93}, DOI={10.1103/physreva.93.042502}, number={4}, journal={Physical Review A}, author={Melton, C. A. and Zhu, M. Y. and Guo, S. and Ambrosetti, A. and Pederiva, F. and Mitas, L.}, year={2016} } @article{rasch_mitas_2015, title={Fixed-node diffusion Monte Carlo method for lithium systems}, volume={92}, DOI={10.1103/physrevb.92.045122}, number={4}, journal={Physical Review. B, Condensed Matter and Materials Physics}, author={Rasch, K. M. and Mitas, L.}, year={2015} } @article{ambrosetti_silvestrelli_pederiva_mitas_toigo_2015, title={Repulsive atomic Fermi gas with Rashba spin-orbit coupling: A quantum Monte Carlo study}, volume={91}, DOI={10.1103/physreva.91.053622}, number={5}, journal={Physical Review. A}, author={Ambrosetti, A. and Silvestrelli, P. L. and Pederiva, F. and Mitas, L. and Toigo, F.}, year={2015} } @article{kulahlioglu_mitas_2014, title={A quantum Monte Carlo study of zinc-porphyrin: Vertical excitation between the singlet ground state and the lowest-lying singlet excited state}, volume={1046}, ISSN={2210-271X}, url={http://dx.doi.org/10.1016/J.COMPTC.2014.07.006}, DOI={10.1016/J.COMPTC.2014.07.006}, journal={Computational and Theoretical Chemistry}, publisher={Elsevier BV}, author={Kulahlioglu, A.H. and Mitas, L.}, year={2014}, month={Oct}, pages={6–9} } @article{rasch_hu_mitas_2014, title={Communication: Fixed-node errors in quantum Monte Carlo: Interplay of electron density and node nonlinearities}, volume={140}, ISSN={0021-9606 1089-7690}, url={http://dx.doi.org/10.1063/1.4862496}, DOI={10.1063/1.4862496}, number={4}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Rasch, Kevin M. and Hu, Shuming and Mitas, Lubos}, year={2014}, month={Jan}, pages={041102} } @article{kulahlioglu_rasch_hu_mitas_2014, title={Density dependence of fixed-node errors in diffusion quantum Monte Carlo: Triplet pair correlations}, volume={591}, DOI={10.1016/j.cplett.2013.11.033}, journal={Chemical Physics Letters}, author={Kulahlioglu, A. H. and Rasch, K. and Hu, S. M. and Mitas, L.}, year={2014}, pages={170–174} } @article{dubecky_derian_jurecka_mitas_hobza_otyepka_2014, title={Quantum Monte Carlo for noncovalent interactions: An efficient protocol attaining benchmark accuracy}, volume={16}, DOI={10.1039/c4cp02093f}, number={38}, journal={Physical Chemistry Chemical Physics}, author={Dubecky, M. and Derian, R. and Jurecka, P. and Mitas, L. and Hobza, P. and Otyepka, M.}, year={2014}, pages={20915–20923} } @article{horvathova_derian_mitas_stich_2014, title={Quantum Monte Carlo study of one-dimensional transition-metal organometallic cluster systems and their suitability as spin filters}, volume={90}, DOI={10.1103/physrevb.90.115414}, number={11}, journal={Physical Review. B, Condensed Matter and Materials Physics}, author={Horvathova, L. and Derian, R. and Mitas, L. and Stich, I.}, year={2014} } @article{dubecky_jurecka_derian_hobza_otyepka_mitas_2013, title={Quantum Monte Carlo methods describe noncovalent interactions with subchemical accuracy}, volume={9}, DOI={10.1021/ct4006739}, number={10}, journal={Journal of Chemical Theory and Computation}, author={Dubecky, M. and Jurecka, P. and Derian, R. and Hobza, P. and Otyepka, M. and Mitas, L.}, year={2013}, pages={4287–4292} } @article{horvathova_dubecky_mitas_stich_2013, title={Quantum Monte Carlo study of pi-bonded transition metal organometallics: Neutral and cationic vanadium-benzene and cobalt-benzene half sandwiches}, volume={9}, DOI={10.1021/ct300887t}, number={1}, journal={Journal of Chemical Theory and Computation}, author={Horvathova, L. and Dubecky, M. and Mitas, L. and Stich, I.}, year={2013}, pages={390–400} } @article{zhu_mitas_2013, title={Study of Ne-core and He-core pseudopotential errors in the MnO molecule: Quantum Monte Carlo benchmark}, volume={572}, DOI={10.1016/j.cplett.2013.04.006}, journal={Chemical Physics Letters}, author={Zhu, M. Y. and Mitas, L.}, year={2013}, pages={136–140} } @article{guo_bajdich_mitas_reynolds_2013, title={Study of dipole moments of LiSr and KRb molecules by quantum Monte Carlo methods}, volume={111}, DOI={10.1080/00268976.2013.788741}, number={12-13}, journal={Molecular Physics}, author={Guo, S. and Bajdich, M. and Mitas, L. and Reynolds, P. J.}, year={2013}, pages={1744–1752} } @article{rasch_mitas_2012, title={Impact of electron density on the fixed-node errors in Quantum Monte Carlo of atomic systems}, volume={528}, ISSN={0009-2614}, url={http://dx.doi.org/10.1016/j.cplett.2012.01.016}, DOI={10.1016/j.cplett.2012.01.016}, journal={Chemical Physics Letters}, publisher={Elsevier BV}, author={Rasch, K.M. and Mitas, L.}, year={2012}, month={Mar}, pages={59–62} } @inproceedings{hu_rasch_mitas_2012, title={Many-body nodal hypersurface and domain averages for correlated wave functions}, volume={1094}, booktitle={Advances in quantum monte carlo}, author={Hu, S. M. and Rasch, K. and Mitas, L.}, year={2012}, pages={77–87} } @article{horvathova_dubecky_mitas_stich_2012, title={Spin multiplicity and symmetry breaking in vanadium-benzene complexes}, volume={109}, DOI={10.1103/physrevlett.109.053001}, number={5}, journal={Physical Review Letters}, author={Horvathova, L. and Dubecky, M. and Mitas, L. and Stich, I.}, year={2012} } @article{ambrosetti_silvestrelli_toigo_mitas_pederiva_2012, title={Variational Monte Carlo for spin-orbit interacting systems}, volume={85}, DOI={10.1103/physrevb.85.045115}, number={4}, journal={Physical Review. B, Condensed Matter and Materials Physics}, author={Ambrosetti, A. and Silvestrelli, P. L. and Toigo, F. and Mitas, L. and Pederiva, F.}, year={2012} } @misc{kolorenc_mitas_2011, title={Applications of quantum Monte Carlo methods in condensed systems}, volume={74}, DOI={10.1088/0034-4885/74/2/026502}, number={2}, journal={Reports on Progress in Physics}, author={Kolorenc, J. and Mitas, L.}, year={2011} } @article{li_kolorenc_mitas_2011, title={Atomic Fermi gas in the unitary limit by quantum Monte Carlo methods: Effects of the interaction range}, volume={84}, DOI={10.1103/physreva.84.023615}, number={2}, journal={Physical Review. A}, author={Li, X. and Kolorenc, J. and Mitas, L.}, year={2011} } @article{bour_li_lee_meissner_mitas_2011, title={Precision benchmark calculations for four particles at unitarity}, volume={83}, DOI={10.1103/physreva.83.063619}, number={6}, journal={Physical Review. A}, author={Bour, S. and Li, X. and Lee, D. and Meissner, U. G. and Mitas, L.}, year={2011} } @inproceedings{kolorenc_mitas_2010, title={Electronic structure of solid FeO at high pressures by quantum Monte Carlo methods}, volume={3}, DOI={10.1016/j.phpro.2010.01.203}, number={3}, booktitle={Proceedings of the 22th workshop on computer simulation studies in condensed matter physics (csp 2009)}, author={Kolorenc, J. and Mitas, L.}, year={2010}, pages={1437–1441} } @article{dubecky_derian_mitas_stich_2010, title={Ground and excited electronic states of azobenzene: A quantum Monte Carlo study}, volume={133}, DOI={10.1063/1.3506028}, number={24}, journal={Journal of Chemical Physics}, author={Dubecky, M. and Derian, R. and Mitas, L. and Stich, I.}, year={2010} } @article{bajdich_kolorenč_mitas_reynolds_2010, title={Pairing in Cold Atoms and other Applications for Quantum Monte Carlo methods}, volume={3}, ISSN={1875-3892}, url={http://dx.doi.org/10.1016/j.phpro.2010.01.199}, DOI={10.1016/j.phpro.2010.01.199}, number={3}, journal={Physics Procedia}, publisher={Elsevier BV}, author={Bajdich, M. and Kolorenč, J. and Mitas, L. and Reynolds, P.J.}, year={2010}, month={Feb}, pages={1397–1410} } @misc{mitas_kolorenc_2010, title={Quantum Monte Carlo studies of transition metal oxides}, volume={71}, DOI={10.2138/rmg.2010.71.7}, journal={Theoretical and computational methods in mineral physics: geophysical applications}, author={Mitas, L. and Kolorenc, J.}, year={2010}, pages={137–145} } @article{kolorenc_hu_mitas_2010, title={Wave functions for quantum Monte Carlo calculations in solids: Orbitals from density functional theory with hybrid exchange-correlation functionals}, volume={82}, DOI={10.1103/physrevb.82.115108}, number={11}, journal={Physical Review. B, Condensed Matter and Materials Physics}, author={Kolorenc, J. and Hu, S. M. and Mitas, L.}, year={2010} } @misc{bajdich_mitas_2009, title={Electronic structure quantum Monte Carlo}, volume={59}, DOI={10.2478/v10155-010-0095-7}, number={2}, journal={Acta Physica Slovaca}, author={Bajdich, M. and Mitas, L.}, year={2009}, pages={81–168} } @article{wagner_bajdich_mitas_2009, title={QWalk: A quantum Monte Carlo program for electronic structure}, volume={228}, DOI={10.1016/j.jcp.2009.01.017}, number={9}, journal={Journal of Computational Physics}, author={Wagner, L. K. and Bajdich, M. and Mitas, L.}, year={2009}, pages={3390–3404} } @article{lester_mitas_hammond_2009, title={Quantum Monte Carlo for atoms, molecules and solids}, volume={478}, DOI={10.1016/j.cplett.2009.06.095}, number={1-3}, journal={Chemical Physics Letters}, author={Lester, W. A. and Mitas, L. and Hammond, B.}, year={2009}, pages={1–10} } @article{kino_wagner_mitas_2009, title={Theoretical Study of Electronic and Atomic Structures of (MnO)(n)}, volume={6}, DOI={10.1166/jctn.2009.1318}, number={12}, journal={Journal of Computational and Theoretical Nanoscience}, author={Kino, H. and Wagner, L. K. and Mitas, L.}, year={2009}, pages={2583–2588} } @article{krcmar_gendiar_mosko_nemeth_vagner_mitas_2008, title={Persistent current of correlated electrons in mesoscopic ring with impurity}, volume={40}, DOI={10.1016/j.physe.2007.09.074}, number={5}, journal={Physica. E, Low-dimensional Systems & Nanostructures}, author={Krcmar, R. and Gendiar, A. and Mosko, M. and Nemeth, R. and Vagner, P. and Mitas, L.}, year={2008}, pages={1507–1509} } @article{bajdich_mitas_wagner_schmidt_2008, title={Pfaffian pairing and backflow wavefunctions for electronic structure quantum Monte Carlo methods}, volume={77}, DOI={10.1103/physrevb.77.115112}, number={11}, journal={Physical Review. B, Condensed Matter and Materials Physics}, author={Bajdich, M. and Mitas, L. and Wagner, L. K. and Schmidt, K. E.}, year={2008} } @article{kolorenc_mitas_2007, title={B1-to-B8 structural phase transition in MnO under pressure: Comparison of all-electron and pseudopotential approaches}, volume={75}, DOI={10.1103/physrevb.75.235118}, number={23}, journal={Physical Review. B, Condensed Matter and Materials Physics}, author={Kolorenc, J. and Mitas, L.}, year={2007} } @article{wagner_mitas_2007, title={Energetics and dipole moment of transition metal monoxides by quantum Monte Carlo}, volume={126}, DOI={10.1063/1.2428294}, number={3}, journal={Journal of Chemical Physics}, author={Wagner, L. K. and Mitas, L.}, year={2007}, pages={034105} } @article{vagner_moško_németh_wagner_mitas_2006, title={Hartree–Fock versus quantum Monte Carlo study of persistent current in a one-dimensional ring with single scatterer}, volume={32}, ISSN={1386-9477}, url={http://dx.doi.org/10.1016/j.physe.2005.12.062}, DOI={10.1016/j.physe.2005.12.062}, number={1-2}, journal={Physica E: Low-dimensional Systems and Nanostructures}, publisher={Elsevier BV}, author={Vagner, Pavel and Moško, Martin and Németh, Radoslav and Wagner, Lucas and Mitas, Lubos}, year={2006}, month={May}, pages={350–353} } @article{bajdich_mitas_drobny_wagner_schmidt_2006, title={Pfaffian pairing wave functions in electronic-structure quantum Monte Carlo simulations}, volume={96}, DOI={10.1103/physrevlett.96.130201}, number={13}, journal={Physical Review Letters}, author={Bajdich, M. and Mitas, L. and Drobny, G. and Wagner, L. K. and Schmidt, K. E.}, year={2006} } @article{mitasova_mitas_ratti_ishii_alonso_harmon_2006, title={Real-time landscape model interaction using a tangible geospatial modeling environment}, volume={26}, DOI={10.1109/MCG.2006.87}, number={4}, journal={IEEE Computer Graphics and Applications}, author={Mitasova, H. and Mitas, L. and Ratti, C. and Ishii, H. and Alonso, J. and Harmon, R. S.}, year={2006}, pages={55–63} } @article{mitas_2006, title={Structure of fermion nodes and nodal cells}, volume={96}, DOI={10.1103/physrevlett.96.240402}, number={24}, journal={Physical Review Letters}, author={Mitas, L.}, year={2006} } @article{bajdich_mitas_drobny_wagner_2005, title={Approximate and exact nodes of fermionic wavefunctions: Coordinate transformations and topologies}, volume={72}, DOI={10.1103/physrevb.72.075131}, number={7}, journal={Physical Review. B, Condensed Matter and Materials Physics}, author={Bajdich, M. and Mitas, L. and Drobny, G. and Wagner, L. K.}, year={2005} } @article{grossman_mitas_2005, title={Efficient quantum monte carlo energies for molecular dynamics simulations}, volume={94}, DOI={10.1103/physrevlett.94.056403}, number={5}, journal={Physical Review Letters}, author={Grossman, J. C. and Mitas, L.}, year={2005} } @article{mitasova_mitas_harmon_2005, title={Simultaneous spline approximation and topographic analysis for lidar elevation data in open-source GIS}, volume={2}, DOI={10.1109/LGRS.2005.848533}, number={4}, journal={IEEE Geoscience and Remote Sensing Letters}, author={Mitasova, H. and Mitas, L. and Harmon, R. S.}, year={2005}, pages={375–379} } @article{harkless_rodriguez_mitas_lester_2003, title={A quantum Monte Carlo and density functional theory study of the electronic structure of peroxynitrite anion}, volume={118}, DOI={10.1063/1.1544732}, number={11}, journal={Journal of Chemical Physics}, author={Harkless, J. A. W. and Rodriguez, J. H. and Mitas, L. and Lester, W. A.}, year={2003}, pages={4987–4992} } @article{wagner_mitas_2003, title={A quantum Monte Carlo study of electron correlation in transition metal oxygen molecules}, volume={370}, DOI={10.1016/S0009-2614(03)00128-3}, number={3-4}, journal={Chemical Physics Letters}, author={Wagner, L. and Mitas, L.}, year={2003}, pages={412–417} } @article{sen_mitas_2003, title={Electronic structure and ground states of transition metals encapsulated in a Si-12 hexagonal prism cage}, volume={68}, DOI={10.1103/physrevb.68.155404}, number={15}, journal={Physical Review. B, Condensed Matter and Materials Physics}, author={Sen, P. and Mitas, L.}, year={2003} } @article{belomoin_rogozhina_therrien_braun_abuhassan_nayfeh_wagner_mitas_2002, title={Effects of surface termination on the band gap of ultrabright Si-29 nanoparticles: Experiments and computational models}, volume={65}, DOI={10.1103/physrevb.65.193406}, number={19}, journal={Physical Review. B, Condensed Matter and Materials Physics}, author={Belomoin, G. and Rogozhina, E. and Therrien, J. and Braun, P. V. and Abuhassan, L. and Nayfeh, M. H. and Wagner, L. and Mitas, L.}, year={2002}, pages={193406–1} } @article{bokes_stich_mitas_2002, title={Ground-state reconstruction of the Si(001) surface: symmetric versus buckled dimers}, volume={362}, DOI={10.1016/S0009-2614(02)01081-3}, number={5-6}, journal={Chemical Physics Letters}, author={Bokes, P. and Stich, I. and Mitas, L.}, year={2002}, pages={559–566} } @article{belomoin_therrien_smith_rao_twesten_chaieb_nayfeh_wagner_mitas_2002, title={Observation of a magic discrete family of ultrabright Si nanoparticles}, volume={80}, DOI={10.1063/1.1435802}, number={5}, journal={Applied Physics Letters}, author={Belomoin, G. and Therrien, J. and Smith, A. and Rao, S. and Twesten, R. and Chaieb, S. and Nayfeh, M. H. and Wagner, L. and Mitas, L.}, year={2002}, pages={841–843} } @article{mitas_2002, title={Quantum Monte Carlo methods for electronic structure of nanosystems}, volume={42}, DOI={10.1560/QRWB-75NV-MEL1-D124}, number={2-3}, journal={Israel Journal of Chemistry}, author={Mitas, L.}, year={2002}, pages={261–268} } @article{mitas_therrien_twesten_belomoin_nayfeh_2001, title={Effect of surface reconstruction on the structural prototypesof ultrasmall ultrabright Si-29 nanoparticles}, volume={78}, DOI={10.1063/1.1356447}, number={13}, journal={Applied Physics Letters}, author={Mitas, L. and Therrien, J. and Twesten, R. and Belomoin, G. and Nayfeh, M. H.}, year={2001}, pages={1918–1920} } @article{foulkes_mitas_needs_rajagopal_2001, title={Quantum Monte Carlo simulations of solids}, volume={73}, DOI={10.1103/revmodphys.73.33}, number={1}, journal={Reviews of Modern Physics}, author={Foulkes, W. M. C. and Mitas, L. and Needs, R. J. and Rajagopal, G.}, year={2001}, pages={33–83} }