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The Journal of Chemical Physics
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March 9, 2021
Cavity-modulated ionization potentials and electron affinities from quantum electrodynamics coupled-cluster theory
A Eugene DePrince
The Journal of Chemical Physics
|
November 3, 2016
Variational optimization of the two-electron reduced-density matrix under pure-state N-representability conditions
A Eugene DePrince
The Journal of Chemical Physics
|
December 24, 2018
Modeling core-level excitations with variationally optimized reduced-density matrices and the extended random phase approximation
Elvis Maradzike, A Eugene DePrince
Journal of Chemical Theory and Computation
|
December 18, 2018
Combining Pair-Density Functional Theory and Variational Two-Electron Reduced-Density Matrix Methods
Mohammad Mostafanejad, A Eugene DePrince
The Journal of Chemical Physics
|
July 3, 2020
Size-extensive seniority-zero energy functionals derived from configuration interaction with double excitations
Nam Vu, A Eugene DePrince
The Journal of Physical Chemistry. B
|
April 16, 2009
Molecular geometries and harmonic frequencies from the parametric two-electron reduced density matrix method with application to the HCN < = > HNC isomerization
A Eugene DePrince, David A Mazziotti
Journal of Chemical Theory and Computation
|
November 20, 2015
Accuracy and Efficiency of Coupled-Cluster Theory Using Density Fitting/Cholesky Decomposition, Frozen Natural Orbitals, and a t1-Transformed Hamiltonian
A Eugene DePrince, C David Sherrill
Journal of Chemical Theory and Computation
|
November 21, 2015
A Parametrized Coupled-Pair Functional for Molecular Interactions: PCPF-MI
Daniel R Nascimento, A Eugene DePrince
The Journal of Chemical Physics
|
August 7, 2023
N-representability violations in truncated equation-of-motion coupled-cluster methods
Stephen H Yuwono, A Eugene DePrince
The Journal of Chemical Physics
|
May 2, 2009
Open-shell molecular electronic states from the parametric two-electron reduced-density-matrix method
A Eugene DePrince, David A Mazziotti
Page
of 7
Search research articles
Search
Showing results (1-10 of 69) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
March 9, 2021
Cavity-modulated ionization potentials and electron affinities from quantum electrodynamics coupled-cluster theory
A Eugene DePrince
The Journal of Chemical Physics
|
November 3, 2016
Variational optimization of the two-electron reduced-density matrix under pure-state N-representability conditions
A Eugene DePrince
The Journal of Chemical Physics
|
December 24, 2018
Modeling core-level excitations with variationally optimized reduced-density matrices and the extended random phase approximation
Elvis Maradzike, A Eugene DePrince
Journal of Chemical Theory and Computation
|
December 18, 2018
Combining Pair-Density Functional Theory and Variational Two-Electron Reduced-Density Matrix Methods
Mohammad Mostafanejad, A Eugene DePrince
The Journal of Chemical Physics
|
July 3, 2020
Size-extensive seniority-zero energy functionals derived from configuration interaction with double excitations
Nam Vu, A Eugene DePrince
The Journal of Physical Chemistry. B
|
April 16, 2009
Molecular geometries and harmonic frequencies from the parametric two-electron reduced density matrix method with application to the HCN < = > HNC isomerization
A Eugene DePrince, David A Mazziotti
Journal of Chemical Theory and Computation
|
November 20, 2015
Accuracy and Efficiency of Coupled-Cluster Theory Using Density Fitting/Cholesky Decomposition, Frozen Natural Orbitals, and a t1-Transformed Hamiltonian
A Eugene DePrince, C David Sherrill
Journal of Chemical Theory and Computation
|
November 21, 2015
A Parametrized Coupled-Pair Functional for Molecular Interactions: PCPF-MI
Daniel R Nascimento, A Eugene DePrince
The Journal of Chemical Physics
|
August 7, 2023
N-representability violations in truncated equation-of-motion coupled-cluster methods
Stephen H Yuwono, A Eugene DePrince
The Journal of Chemical Physics
|
May 2, 2009
Open-shell molecular electronic states from the parametric two-electron reduced-density-matrix method
A Eugene DePrince, David A Mazziotti
Page
of 7