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Physical Chemistry Chemical Physics : PCCP
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December 14, 2007
Coupled-cluster methods with perturbative inclusion of explicitly correlated terms: a preliminary investigation
Edward F Valeev
The Journal of Chemical Physics
|
January 4, 2007
Combining explicitly correlated R12 and Gaussian geminal electronic structure theories
Edward F Valeev
The Journal of Physical Chemistry. A
|
October 13, 2025
Implementation of McMurchie-Davidson Algorithm for Gaussian AO Integrals Suited for SIMD Processors
Andrey Asadchev, Edward F Valeev
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2012
Hybrid one-electron/many-electron methods for ionized states of molecular clusters
Jinmei Zhang, Edward F Valeev
The Journal of Chemical Physics
|
June 27, 2024
3-center and 4-center 2-particle Gaussian AO integrals on modern accelerated processors
Andrey Asadchev, Edward F Valeev
The Journal of Physical Chemistry. A
|
December 13, 2023
High-Performance Evaluation of High Angular Momentum 4-Center Gaussian Integrals on Modern Accelerated Processors
Andrey Asadchev, Edward F Valeev
The Journal of Chemical Physics
|
September 6, 2020
Comment on "A tight distance-dependent estimator for screening three-center Coulomb integrals over Gaussian basis functions" [J. Chem. Phys. 142, 154106 (2015)]
Edward F Valeev, Toru Shiozaki
Journal of Chemical Theory and Computation
|
November 26, 2015
Revisiting the Atomic Natural Orbital Approach for Basis Sets: Robust Systematic Basis Sets for Explicitly Correlated and Conventional Correlated ab initio Methods?
Frank Neese, Edward F Valeev
The Journal of Chemical Physics
|
November 10, 2009
Universal perturbative explicitly correlated basis set incompleteness correction
Martin Torheyden, Edward F Valeev
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Variational formulation of perturbative explicitly-correlated coupled-cluster methods
Martin Torheyden, Edward F Valeev
Page
of 9
Search research articles
Search
Showing results (1-10 of 87) with videos related to
Sort By:
Page
of 9
Physical Chemistry Chemical Physics : PCCP
|
December 14, 2007
Coupled-cluster methods with perturbative inclusion of explicitly correlated terms: a preliminary investigation
Edward F Valeev
The Journal of Chemical Physics
|
January 4, 2007
Combining explicitly correlated R12 and Gaussian geminal electronic structure theories
Edward F Valeev
The Journal of Physical Chemistry. A
|
October 13, 2025
Implementation of McMurchie-Davidson Algorithm for Gaussian AO Integrals Suited for SIMD Processors
Andrey Asadchev, Edward F Valeev
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2012
Hybrid one-electron/many-electron methods for ionized states of molecular clusters
Jinmei Zhang, Edward F Valeev
The Journal of Chemical Physics
|
June 27, 2024
3-center and 4-center 2-particle Gaussian AO integrals on modern accelerated processors
Andrey Asadchev, Edward F Valeev
The Journal of Physical Chemistry. A
|
December 13, 2023
High-Performance Evaluation of High Angular Momentum 4-Center Gaussian Integrals on Modern Accelerated Processors
Andrey Asadchev, Edward F Valeev
The Journal of Chemical Physics
|
September 6, 2020
Comment on "A tight distance-dependent estimator for screening three-center Coulomb integrals over Gaussian basis functions" [J. Chem. Phys. 142, 154106 (2015)]
Edward F Valeev, Toru Shiozaki
Journal of Chemical Theory and Computation
|
November 26, 2015
Revisiting the Atomic Natural Orbital Approach for Basis Sets: Robust Systematic Basis Sets for Explicitly Correlated and Conventional Correlated ab initio Methods?
Frank Neese, Edward F Valeev
The Journal of Chemical Physics
|
November 10, 2009
Universal perturbative explicitly correlated basis set incompleteness correction
Martin Torheyden, Edward F Valeev
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Variational formulation of perturbative explicitly-correlated coupled-cluster methods
Martin Torheyden, Edward F Valeev
Page
of 9