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A. Eugene DePrince III
A. Eugene DePrince III
Verified email at chem.fsu.edu
Title
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Cited by
Year
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
9512017
PSI4 1.4: Open-source software for high-throughput quantum chemistry
DGA Smith, LA Burns, AC Simmonett, RM Parrish, MC Schieber, ...
The Journal of chemical physics 152 (18), 184108, 2020
2312020
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 084801, 2021
1632021
Accuracy and Efficiency of Coupled-Cluster Theory Using Density Fitting/Cholesky Decomposition, Frozen Natural Orbitals, and a t1-Transformed Hamiltonian
AE DePrince III, CD Sherrill
Journal of chemical theory and computation 9 (6), 2687-2696, 2013
1332013
Self‐assembled large Au nanoparticle arrays with regular hot spots for SERS
A Chen, AE DePrince III, A Demortière, A Joshi‐Imre, EV Shevchenko, ...
Small 7 (16), 2365-2371, 2011
1232011
Large-scale variational two-electron reduced-density-matrix-driven complete active space self-consistent field methods
J Fosso-Tande, TS Nguyen, G Gidofalvi, AE DePrince III
Journal of chemical theory and computation 12 (5), 2260-2271, 2016
1182016
Emergence of californium as the second transitional element in the actinide series
SK Cary, M Vasiliu, RE Baumbach, JT Stritzinger, TD Green, ...
Nature communications 6 (1), 1-8, 2015
1092015
Coupled cluster theory on graphics processing units I. The coupled cluster doubles method
AE DePrince III, JR Hammond
Journal of chemical theory and computation 7 (5), 1287-1295, 2011
982011
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development
DGA Smith, LA Burns, DA Sirianni, DR Nascimento, A Kumar, AM James, ...
Journal of chemical theory and computation 14 (7), 3504-3511, 2018
972018
Real-time time-dependent electronic structure theory
X Li, N Govind, C Isborn, AE DePrince III, K Lopata
Chemical Reviews 120 (18), 9951-9993, 2020
772020
Solvent-mediated end-to-end assembly of gold nanorods
Y Wang, AE DePrince III, SK Gray, XM Lin, M Pelton
The Journal of Physical Chemistry Letters 1 (18), 2692-2698, 2010
752010
Simulation of near-edge X-ray absorption fine structure with time-dependent equation-of-motion coupled-cluster theory
DR Nascimento, AE DePrince III
The journal of physical chemistry letters 8 (13), 2951-2957, 2017
722017
Communication: Resolving the three-body contribution to the lattice energy of crystalline benzene: Benchmark results from coupled-cluster theory
MR Kennedy, AR McDonald, AE DePrince III, MS Marshall, R Podeszwa, ...
The Journal of chemical physics 140 (12), 121104, 2014
622014
Accurate noncovalent interaction energies using truncated basis sets based on frozen natural orbitals
AE DePrince III, CD Sherrill
Journal of chemical theory and computation 9 (1), 293-299, 2013
622013
Linear absorption spectra from explicitly time-dependent equation-of-motion coupled-cluster theory
DR Nascimento, AE DePrince III
Journal of chemical theory and computation 12 (12), 5834-5840, 2016
602016
Parametric approach to variational two-electron reduced-density-matrix theory
AE DePrince III, DA Mazziotti
Physical Review A 76 (4), 042501, 2007
552007
Density-fitted singles and doubles coupled cluster on graphics processing units
AE DePrince III, MR Kennedy, BG Sumpter, CD Sherrill
Molecular Physics 112 (5-6), 844-852, 2014
522014
Cumulant reconstruction of the three-electron reduced density matrix in the anti-Hermitian contracted Schrödinger equation
AE DePrince III, DA Mazziotti
The Journal of chemical physics 127 (10), 104104, 2007
492007
The chronus quantum software package
DB Williams‐Young, A Petrone, S Sun, TF Stetina, P Lestrange, CE Hoyer, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (2), e1436, 2020
462020
Parametric two-electron reduced-density-matrix method applied to computing molecular energies and properties at nonequilibrium geometries
AE DePrince III, E Kamarchik, DA Mazziotti
The Journal of chemical physics 128 (23), 234103, 2008
382008
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