Follow
Gergely Gidofalvi
Gergely Gidofalvi
Associate pofessor, Chemistry, Gonzaga University
Verified email at gonzaga.edu
Title
Cited by
Cited by
Year
Multiconfiguration self-consistent field and multireference configuration interaction methods and applications
PG Szalay, T Muller, G Gidofalvi, H Lischka, R Shepard
Chemical reviews 112 (1), 108-181, 2012
6272012
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
1902021
Active-space two-electron reduced-density-matrix method: Complete active-space calculations without diagonalization of the -electron Hamiltonian
G Gidofalvi, DA Mazziotti
The Journal of chemical physics 129 (13), 134108, 2008
1672008
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
1212016
Strong correlation in acene sheets from the active-space variational two-electron reduced density matrix method: effects of symmetry and size
K Pelzer, L Greenman, G Gidofalvi, DA Mazziotti
The Journal of Physical Chemistry A 115 (22), 5632-5640, 2011
1002011
Spin and symmetry adaptation of the variational two-electron reduced-density-matrix method
G Gidofalvi, DA Mazziotti
Physical Review A 72 (5), 052505, 2005
732005
Molecular properties from variational reduced-density-matrix theory with three-particle -representability conditions
G Gidofalvi, DA Mazziotti
The Journal of chemical physics 126 (2), 024105, 2007
492007
Boson correlation energies via variational minimization with the two-particle reduced density matrix: Exact N-representability conditions for harmonic interactions
G Gidofalvi, DA Mazziotti
Physical Review A 69 (4), 042511, 2004
482004
Computation of quantum phase transitions by reduced-density-matrix mechanics
G Gidofalvi, DA Mazziotti
Physical Review A 74 (1), 012501, 2006
452006
Application of variational reduced-density-matrix theory to the potential energy surfaces of the nitrogen and carbon dimers
G Gidofalvi, DA Mazziotti
The Journal of chemical physics 122 (19), 194104, 2005
412005
Direct calculation of excited-state electronic energies and two-electron reduced density matrices from the anti-Hermitian contracted Schrödinger equation
G Gidofalvi, DA Mazziotti
Physical Review A 80 (2), 022507, 2009
392009
Application of variational reduced-density-matrix theory to organic molecules
G Gidofalvi, DA Mazziotti
The Journal of chemical physics 122 (9), 094107, 2005
362005
The multifacet graphically contracted function method. I. Formulation and implementation
R Shepard, G Gidofalvi, SR Brozell
The Journal of Chemical Physics 141 (6), 064105, 2014
282014
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry
H Lischka, R Shepard, T Müller, PG Szalay, RM Pitzer, AJA Aquino, ...
The journal of chemical physics 152 (13), 134110, 2020
272020
The representation and parametrization of orthogonal matrices
R Shepard, SR Brozell, G Gidofalvi
The Journal of Physical Chemistry A 119 (28), 7924-7939, 2015
262015
Variational reduced-density-matrix theory applied to the potential energy surfaces of carbon monoxide in the presence of electric fields
G Gidofalvi, DA Mazziotti
The Journal of Physical Chemistry A 110 (16), 5481-5486, 2006
222006
Multireference self-consistent-field energies without the many-electron wave function through a variational low-rank two-electron reduced-density-matrix method
G Gidofalvi, DA Mazziotti
The Journal of chemical physics 127 (24), 244105, 2007
202007
Computation of dipole, quadrupole, and octupole surfaces from the variational two-electron reduced density matrix method
G Gidofalvi, DA Mazziotti
The Journal of chemical physics 125 (14), 144102, 2006
202006
Heterogeneous CPU+ GPU algorithm for variational two-electron reduced-density matrix-driven complete active-space self-consistent field theory
JW Mullinax, E Maradzike, LN Koulias, M Mostafanejad, E Epifanovsky, ...
Journal of chemical theory and computation 15 (11), 6164-6178, 2019
192019
Analytic energy gradients for variational two-electron reduced-density matrix methods within the density fitting approximation
JW Mullinax, E Epifanovsky, G Gidofalvi, AE DePrince III
Journal of chemical theory and computation 15 (1), 276-289, 2018
192018
The system can't perform the operation now. Try again later.
Articles 1–20