Michael Chandler Bennett

Works (9)

Updated: July 5th, 2023 15:38

2022 article

A new generation of effective core potentials from correlated and spin–orbit calculations: Selected heavy elements

Wang, G., Kincaid, B., Zhou, H., Annaberdiyev, A., Bennett, M. C., Krogel, J. T., & Mitas, L. (2022, July 5). The Journal of Chemical Physics, Vol. 157.

By: G. Wang n, B. Kincaid n, H. Zhou n, A. Annaberdiyev  n, M. Bennett*, J. Krogel *, L. Mitas n 

Contributors: G. Wang n, B. Kincaid n, H. Zhou n, A. Annaberdiyev  n, M. Bennett*, J. Krogel *, L. Mitas n 

topics (OpenAlex): Advanced Chemical Physics Studies; Rare-earth and actinide compounds; High-pressure geophysics and materials
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 15, 2022

2021 article

Cohesion and excitations of diamond-structure silicon by quantum Monte Carlo: Benchmarks and control of systematic biases

Annaberdiyev, A., Wang, G., Melton, C. A., Bennett, M. C., & Mitas, L. (2021, May 21). Physical Review. B./Physical Review. B, Vol. 103.

By: A. Annaberdiyev  n, G. Wang n, C. Melton*, M. Bennett* & L. Mitas n 

Contributors: A. Annaberdiyev  n, G. Wang n, C. Melton*, M. Bennett* & L. Mitas n 

topics (OpenAlex): Electronic and Structural Properties of Oxides; Advanced Chemical Physics Studies; Semiconductor materials and devices
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: June 10, 2021

2020 article

Accurate Atomic Correlation and Total Energies for Correlation Consistent Effective Core Potentials

Annaberdiyev, A., Melton, C. A., Bennett, M. C., Wang, G., & Mitas, L. (2020, February 6). Journal of Chemical Theory and Computation, Vol. 16, pp. 1482–1502.

By: A. Annaberdiyev n, C. Melton n, M. Bennett n, G. Wang n & L. Mitas n 

Contributors: A. Annaberdiyev  n, C. Melton n, M. Bennett n, G. Wang n & L. Mitas n 

topics (OpenAlex): Advanced Chemical Physics Studies; Quantum, superfluid, helium dynamics; Catalysis and Oxidation Reactions
TL;DR: The results offer a clear benchmark for future high accuracy calculations in a broad variety of correlated wave function methods such as CI and CC as well is in stochastic approaches such as real space sampling QMC. (via Semantic Scholar)
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: April 6, 2020

2020 article

QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo

Kent, P. R. C., Annaberdiyev, A., Benali, A., Bennett, M. C., Borda, E. J. L., Doak, P., … Zhao, L. (2020, May 4). The Journal of Chemical Physics, Vol. 152.

By: P. Kent *, A. Annaberdiyev  n, A. Benali *, M. Bennett*, E. Borda *, P. Doak *, H. Hao *, K. Jordan * ...

Contributors: P. Kent *, A. Annaberdiyev  n, A. Benali *, M. Bennett*, E. Landinez Borda *, P. Doak *, H. Hao *, K. Jordan * ...

topics (OpenAlex): Advanced Chemical Physics Studies; Advanced NMR Techniques and Applications; Quantum, superfluid, helium dynamics
TL;DR: Recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus are reviewed and a new set of correlation-consistent effective core potentials (pseudopotentials) that are more accurate than previous sets are utilized. (via Semantic Scholar)
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Added: May 26, 2020

2019 article

A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions

Wang, G., Annaberdiyev, A., Melton, C. A., Bennett, M. C., Shulenburger, L., & Mitas, L. (2019, October 9). The Journal of Chemical Physics, Vol. 151, p. 144110.

By: G. Wang n, A. Annaberdiyev n, C. Melton n, M. Bennett*, L. Shulenburger * & L. Mitas n 

Contributors: G. Wang n, A. Annaberdiyev  n, C. Melton n, M. Bennett*, L. Shulenburger * & L. Mitas n 

topics (OpenAlex): Advanced Chemical Physics Studies; Crystallography and molecular interactions; Molecular Spectroscopy and Structure
TL;DR: A new method for generating effective core potentials (ECPs) using valence energy isospectrality with explicitly correlated all-electron (AE) excitations and norm-conservation criteria is applied to the 3rd-row main group elements, creating new correlation consistent ECPs (ccECPs). (via Semantic Scholar)
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Added: December 16, 2019

2018 article

Projector quantum Monte Carlo with averaged vs explicit spin-orbit effects: Applications to tungsten molecular systems

Melton, C. A., Bennett, M. C., & Mitas, L. (2018, January 16). Journal of Physics and Chemistry of Solids, Vol. 128, pp. 367–373.

By: C. Melton n, M. Bennett n & L. Mitas n 

Contributors: C. Melton n, M. Bennett n & L. Mitas n 

topics (OpenAlex): Advanced Chemical Physics Studies; Physics of Superconductivity and Magnetism; Catalytic Processes in Materials Science; Catalysis and Oxidation Reactions
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: July 15, 2019

2017 article

A new generation of effective core potentials for correlated calculations

Bennett, M. C., Melton, C. A., Annaberdiyev, A., Wang, G., Shulenburger, L., & Mitas, L. (2017, December 12). The Journal of Chemical Physics, Vol. 147.

By: M. Bennett n, C. Melton n, A. Annaberdiyev n, G. Wang n, L. Shulenburger* & L. Mitas n 

Contributors: M. Bennett n, C. Melton n, A. Annaberdiyev  n, G. Wang n, L. Shulenburger* & L. Mitas n 

topics (OpenAlex): Advanced Chemical Physics Studies; High-pressure geophysics and materials; Solid-state spectroscopy and crystallography; Advanced Physical and Chemical Molecular Interactions
TL;DR: This work outlines ideas on desired properties for a new generation of effective core potentials (ECPs) that will allow valence-only calculations to reach the full potential offered by recent advances in many-body wave function methods and obtains higher accuracy in transferability than previous constructions while using semi-local ECPs with a small number of parameters. (via Semantic Scholar)
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Added: August 6, 2018

2016 article

A quantum Monte Carlo study of mono(benzene) TM and bis(benzene) TM systems

Bennett, M. C., Kulahlioglu, A. H., & Mitas, L. (2016, November 17). Chemical Physics Letters, Vol. 667, pp. 74–78.

By: M. Bennett n, A. Kulahlioglu n & L. Mitas n 

Contributors: M. Bennett n, A. Kulahlioglu n & L. Mitas n 

author keywords: Quantum Monte Carlo; Fixed-node approximation; Molybdenum; Tungsten; Bis(benzene) molybdenum; Mono(benzene) molybdenum
topics (OpenAlex): Advanced Chemical Physics Studies; Molecular Junctions and Nanostructures; Inorganic Fluorides and Related Compounds
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2016 article

Quantum Monte Carlo with variable spins

Melton, C. A., Bennett, M. C., & Mitas, L. (2016, June 28). The Journal of Chemical Physics, Vol. 144.

By: C. Melton n, M. Bennett n & L. Mitas n 

Contributors: C. Melton n, M. Bennett n & L. Mitas n 

topics (OpenAlex): Advanced Chemical Physics Studies; Rare-earth and actinide compounds; Physics of Superconductivity and Magnetism
TL;DR: A proof for an upper-bound property for complex nonlocal operators, which allows for the implementation of T-moves to ensure the variational property of fixed-phase spin-orbit diffusion Monte Carlo is presented. (via Semantic Scholar)
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

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