A. Eugene DePrince III
A. Eugene DePrince III
Verified email at chem.fsu.edu
Title
Cited by
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
5872017
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
1092011
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
962013
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
842016
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
812011
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
782015
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
682010
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
542018
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
542014
Parametric approach to variational two-electron reduced-density-matrix theory
AE DePrince III, DA Mazziotti
Physical Review A 76 (4), 042501, 2007
502007
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
482017
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
482013
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
432016
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
422007
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
402014
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
362008
Molecular Geometries and Harmonic Frequencies from the Parametric Two-Electron Reduced Density Matrix Method with Application to the HCN↔ HNC Isomerization
AE Deprince Iii, DA Mazziotti
The Journal of Physical Chemistry B 112 (50), 16158-16162, 2008
322008
Emergence of excited-state plasmon modes in linear hydrogen chains from time-dependent quantum mechanical methods
AE DePrince III, M Pelton, JR Guest, SK Gray
Physical review letters 107 (19), 196806, 2011
312011
Testing the parametric two-electron reduced-density-matrix method with improved functionals: Application to the conversion of hydrogen peroxide to oxywater
CA Schwerdtfeger, AE DePrince III, DA Mazziotti
The Journal of chemical physics 134 (17), 174102, 2011
272011
Accuracy of two-particle N-representability conditions for describing different spin states and the singlet–triplet gap in the linear acene series
J Fosso-Tande, DR Nascimento, AE DePrince III
Molecular Physics 114 (3-4), 423-430, 2016
232016
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Articles 1–20