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Journal of Chemical Theory and Computation
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March 14, 2023
Memory-Efficient Recursive Evaluation of 3-Center Gaussian Integrals
Andrey Asadchev, Edward F Valeev
Journal of Chemical Theory and Computation
|
December 9, 2022
Efficient Construction of Canonical Polyadic Approximations of Tensor Networks
Karl Pierce, Edward F Valeev
The Journal of Chemical Physics
|
November 9, 2010
Perturbative correction for the basis set incompleteness error of complete-active-space self-consistent field
Liguo Kong, Edward F Valeev
The Journal of Chemical Physics
|
June 14, 2011
A novel interpretation of reduced density matrix and cumulant for electronic structure theories
Liguo Kong, Edward F Valeev
The Journal of Chemical Physics
|
December 14, 2011
SF-[2]R12: a spin-adapted explicitly correlated method applicable to arbitrary electronic states
Liguo Kong, Edward F Valeev
Journal of Chemical Theory and Computation
|
November 26, 2015
Prediction of Reaction Barriers and Thermochemical Properties with Explicitly Correlated Coupled-Cluster Methods: A Basis Set Assessment
Jinmei Zhang, Edward F Valeev
Journal of Chemical Theory and Computation
|
March 26, 2026
SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian with Size-Intensive Picture Change
Kshitijkumar A Surjuse, Edward F Valeev
The Journal of Chemical Physics
|
July 21, 2004
Second-order Møller-Plesset theory with linear R12 terms (MP2-R12) revisited: auxiliary basis set method and massively parallel implementation
Edward F Valeev, Curtis L Janssen
The Journal of Chemical Physics
|
September 28, 2013
Computing molecular correlation energies with guaranteed precision
Florian A Bischoff, Edward F Valeev
The Journal of Chemical Physics
|
July 8, 2008
Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 model
Edward F Valeev, T Daniel Crawford
Page
of 9
Search research articles
Search
Showing results (11-20 of 87) with videos related to
Sort By:
Page
of 9
Journal of Chemical Theory and Computation
|
March 14, 2023
Memory-Efficient Recursive Evaluation of 3-Center Gaussian Integrals
Andrey Asadchev, Edward F Valeev
Journal of Chemical Theory and Computation
|
December 9, 2022
Efficient Construction of Canonical Polyadic Approximations of Tensor Networks
Karl Pierce, Edward F Valeev
The Journal of Chemical Physics
|
November 9, 2010
Perturbative correction for the basis set incompleteness error of complete-active-space self-consistent field
Liguo Kong, Edward F Valeev
The Journal of Chemical Physics
|
June 14, 2011
A novel interpretation of reduced density matrix and cumulant for electronic structure theories
Liguo Kong, Edward F Valeev
The Journal of Chemical Physics
|
December 14, 2011
SF-[2]R12: a spin-adapted explicitly correlated method applicable to arbitrary electronic states
Liguo Kong, Edward F Valeev
Journal of Chemical Theory and Computation
|
November 26, 2015
Prediction of Reaction Barriers and Thermochemical Properties with Explicitly Correlated Coupled-Cluster Methods: A Basis Set Assessment
Jinmei Zhang, Edward F Valeev
Journal of Chemical Theory and Computation
|
March 26, 2026
SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian with Size-Intensive Picture Change
Kshitijkumar A Surjuse, Edward F Valeev
The Journal of Chemical Physics
|
July 21, 2004
Second-order Møller-Plesset theory with linear R12 terms (MP2-R12) revisited: auxiliary basis set method and massively parallel implementation
Edward F Valeev, Curtis L Janssen
The Journal of Chemical Physics
|
September 28, 2013
Computing molecular correlation energies with guaranteed precision
Florian A Bischoff, Edward F Valeev
The Journal of Chemical Physics
|
July 8, 2008
Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 model
Edward F Valeev, T Daniel Crawford
Page
of 9