QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids J Kim, AD Baczewski, TD Beaudet, A Benali, MC Bennett, MA Berrill, ... Journal of Physics: Condensed Matter 30 (19), 195901, 2018 | 286 | 2018 |
QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo PRC Kent, A Annaberdiyev, A Benali, MC Bennett, EJ Landinez Borda, ... The Journal of chemical physics 152 (17), 2020 | 115 | 2020 |
A new generation of effective core potentials for correlated calculations MC Bennett, CA Melton, A Annaberdiyev, G Wang, L Shulenburger, ... The Journal of chemical physics 147 (22), 2017 | 114 | 2017 |
A new generation of effective core potentials from correlated calculations: 3d transition metal series A Annaberdiyev, G Wang, CA Melton, MC Bennett, L Shulenburger, ... The Journal of chemical physics 149 (13), 2018 | 79 | 2018 |
A new generation of effective core potentials from correlated calculations: 2nd row elements MC Bennett, G Wang, A Annaberdiyev, CA Melton, L Shulenburger, ... The Journal of chemical physics 149 (10), 2018 | 62 | 2018 |
A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions G Wang, A Annaberdiyev, CA Melton, MC Bennett, L Shulenburger, ... The Journal of Chemical Physics 151 (14), 2019 | 51 | 2019 |
Spin-orbit interactions in electronic structure quantum Monte Carlo methods CA Melton, M Zhu, S Guo, A Ambrosetti, F Pederiva, L Mitas Physical Review A 93 (4), 042502, 2016 | 36 | 2016 |
Quantum Monte Carlo with variable spins CA Melton, MC Bennett, L Mitas The Journal of Chemical Physics 144 (24), 2016 | 28 | 2016 |
Cohesion and excitations of diamond-structure silicon by quantum Monte Carlo: Benchmarks and control of systematic biases A Annaberdiyev, G Wang, CA Melton, MC Bennett, L Mitas Physical Review B 103 (20), 205206, 2021 | 22 | 2021 |
Accurate atomic correlation and total energies for correlation consistent effective core potentials A Annaberdiyev, CA Melton, MC Bennett, G Wang, L Mitas Journal of Chemical Theory and Computation 16 (3), 1482-1502, 2020 | 22 | 2020 |
Many-body electronic structure of by real-space quantum Monte Carlo CA Melton, L Mitas Physical Review B 102 (4), 045103, 2020 | 13 | 2020 |
Quantum Monte Carlo with variable spins: Fixed-phase and fixed-node approximations CA Melton, L Mitas Physical Review E 96 (4), 043305, 2017 | 13 | 2017 |
Projector quantum Monte Carlo with averaged vs explicit spin-orbit effects: Applications to tungsten molecular systems CA Melton, MC Bennett, L Mitas Journal of Physics and Chemistry of Solids 128, 367-373, 2019 | 7 | 2019 |
Review of the second charged-particle transport coefficient code comparison workshop LJ Stanek, A Kononov, SB Hansen, BM Haines, SX Hu, PF Knapp, ... Physics of Plasmas 31 (5), 2024 | 6 | 2024 |
Fixed-node and fixed-phase approximations and their relationship to variable spins in quantum Monte Carlo CA Melton, L Mitas Recent Progress in Quantum Monte Carlo, 1-13, 2016 | 5 | 2016 |
Electronic structure of by fixed-node and fixed-phase diffusion Monte Carlo methods A Annaberdiyev, CA Melton, G Wang, L Mitas Physical Review B 106 (7), 075127, 2022 | 4 | 2022 |
Neutrinos and nucleosynthesis in core-collapse supernovae C Fröhlich, J Casanova, M Hempel, M Liebendörfer, CA Melton, A Perego AIP Conference Proceedings 1604 (1), 178-184, 2014 | 3 | 2014 |
Transport coefficients of warm dense matter from Kohn-Sham density functional theory CA Melton, RC Clay, KR Cochrane, A Dumi, TA Gardiner, MK Lentz, ... Physics of Plasmas 31 (4), 2024 | 2 | 2024 |
Enhancing Excited State Characterization in Transition Metal Oxides Through Advanced Wavefunction Methods A Benali, J Krogel, C Melton, R Clay, A Dumi, L Shulenburger Bulletin of the American Physical Society, 2024 | | 2024 |
Validating Spin-Orbit QMC for Equation of State Calculations of Heavy Elements R Clay, C Melton, L Shulenburger Bulletin of the American Physical Society, 2024 | | 2024 |