| Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability RM Parrish, LA Burns, DGA Smith, AC Simmonett, AE DePrince III, ... Journal of chemical theory and computation 13 (7), 3185-3197, 2017 | 1158 | 2017 |
| NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 528 | 2020 |
| Increasing the applicability of DFT I: Non-variational correlation corrections from Hartree–Fock DFT for predicting transition states P Verma, A Perera, RJ Bartlett Chemical Physics Letters 524, 10-15, 2012 | 90 | 2012 |
| Increasing the applicability of density functional theory. II. Correlation potentials from the random phase approximation and beyond P Verma, RJ Bartlett The Journal of Chemical Physics 136 (4), 044105-044105-8, 2012 | 87 | 2012 |
| Increasing the applicability of density functional theory. IV. Consequences of ionization-potential improved exchange-correlation potentials P Verma, RJ Bartlett The Journal of chemical physics 140 (18), 2014 | 79 | 2014 |
| Variational versus Perturbational Treatment of Spin–Orbit Coupling in Relativistic Density Functional Calculations of Electronic g Factors: Effects from Spin … P Verma, J Autschbach Journal of Chemical Theory and Computation 9 (2), 1052-1067, 2013 | 58 | 2013 |
| Relativistic density functional calculations of hyperfine coupling with variational versus perturbational treatment of spin–orbit coupling P Verma, J Autschbach Journal of Chemical Theory and Computation 9 (4), 1932-1948, 2013 | 52 | 2013 |
| Predicting near edge X-ray absorption spectra with the spin-free exact-two-component Hamiltonian and orthogonality constrained density functional theory P Verma, WD Derricotte, FA Evangelista Journal of Chemical Theory and Computation 12 (1), 144-156, 2016 | 48 | 2016 |
| Increasing the applicability of density functional theory. III. Do consistent Kohn-Sham density functional methods exist? P Verma, RJ Bartlett The Journal of Chemical Physics 137, 134102, 2012 | 42 | 2012 |
| Increasing the applicability of density functional theory. V. X-ray absorption spectra with ionization potential corrected exchange and correlation potentials P Verma, RJ Bartlett The Journal of chemical physics 145 (3), 2016 | 25 | 2016 |
| Scaling Up Electronic Structure Calculations on Quantum Computers: The Frozen Natural Orbital Based Method of Increments P Verma, L Huntington, M Coons, Y Kawashima, T Yamazaki, ... arXiv preprint arXiv:2002.07901, 2020 | 22 | 2020 |
| Massively parallel implementations of coupled-cluster methods for electron spin resonance spectra. I. Isotropic hyperfine coupling tensors in large radicals P Verma, A Perera, JA Morales The Journal of chemical physics 139 (17), 2013 | 19 | 2013 |
| Ionization potential optimized double-hybrid density functional approximations JT Margraf, P Verma, RJ Bartlett The Journal of Chemical Physics 145 (10), 2016 | 17 | 2016 |
| A low-cost approach to electronic excitation energies based on the driven similarity renormalization group C Li, P Verma, KP Hannon, FA Evangelista The Journal of Chemical Physics 147 (7), 2017 | 16 | 2017 |
| Benchmark coupled-cluster g-tensor calculations with full inclusion of the two-particle spin-orbit contributions A Perera, J Gauss, P Verma, JA Morales The Journal of Chemical Physics 146 (16), 2017 | 11 | 2017 |
| New massively parallel linear-response coupled-cluster module in ACES III: application to static polarisabilities of closed-shell molecules and oligomers and of open-shell radicals P Verma, A Perera, JA Morales Molecular Physics 114 (3-4), 547-561, 2016 | 5 | 2016 |
| Increasing the Applicability of Density Functional Theory P Verma University of Florida, 2011 | | 2011 |
rodney bartlettgraduate research professor, university of floridVerified email at qtp.ufl.edu
