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Journal of Chemical Theory and Computation
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November 5, 2021
Robust Pipek-Mezey Orbital Localization in Periodic Solids
Marjory C Clement, Xiao Wang, Edward F Valeev
Journal of Chemical Theory and Computation
|
September 26, 2018
State-Averaged Pair Natural Orbitals for Excited States: A Route toward Efficient Equation of Motion Coupled-Cluster
Chong Peng, Marjory C Clement, Edward F Valeev
The Journal of Chemical Physics
|
March 10, 2016
SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory
Yang Guo, Kantharuban Sivalingam, Edward F Valeev, et al.
The Journal of Physical Chemistry. A
|
May 10, 2021
Toward the Minimal Floating Operation Count Cholesky Decomposition of Electron Repulsion Integrals
Tianyuan Zhang, Xiaolin Liu, Edward F Valeev, et al.
The Journal of Chemical Physics
|
December 3, 2008
Explicitly correlated coupled-cluster singles and doubles method based on complete diagrammatic equations
Toru Shiozaki, Muneaki Kamiya, So Hirata, et al.
Journal of Chemical Theory and Computation
|
October 27, 2016
Clustered Low-Rank Tensor Format: Introduction and Application to Fast Construction of Hartree-Fock Exchange
Cannada A Lewis, Justus A Calvin, Edward F Valeev
The Journal of Chemical Physics
|
September 18, 2012
Computing many-body wave functions with guaranteed precision: the first-order Møller-Plesset wave function for the ground state of helium atom
Florian A Bischoff, Robert J Harrison, Edward F Valeev
Journal of the American Chemical Society
|
September 5, 2002
Estimates of the ab initio limit for pi-pi interactions: the benzene dimer
Mutasem Omar Sinnokrot, Edward F Valeev, C David Sherrill
The Journal of Chemical Physics
|
April 24, 2015
A tight distance-dependent estimator for screening three-center Coulomb integrals over Gaussian basis functions
David S Hollman, Henry F Schaefer, Edward F Valeev
Journal of Chemical Theory and Computation
|
December 1, 2015
Adaptive Steered Molecular Dynamics of the Long-Distance Unfolding of Neuropeptide Y
Gungor Ozer, Edward F Valeev, Stephen Quirk, et al.
Page
of 9
Search research articles
Search
Showing results (31-40 of 87) with videos related to
Sort By:
Page
of 9
Journal of Chemical Theory and Computation
|
November 5, 2021
Robust Pipek-Mezey Orbital Localization in Periodic Solids
Marjory C Clement, Xiao Wang, Edward F Valeev
Journal of Chemical Theory and Computation
|
September 26, 2018
State-Averaged Pair Natural Orbitals for Excited States: A Route toward Efficient Equation of Motion Coupled-Cluster
Chong Peng, Marjory C Clement, Edward F Valeev
The Journal of Chemical Physics
|
March 10, 2016
SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory
Yang Guo, Kantharuban Sivalingam, Edward F Valeev, et al.
The Journal of Physical Chemistry. A
|
May 10, 2021
Toward the Minimal Floating Operation Count Cholesky Decomposition of Electron Repulsion Integrals
Tianyuan Zhang, Xiaolin Liu, Edward F Valeev, et al.
The Journal of Chemical Physics
|
December 3, 2008
Explicitly correlated coupled-cluster singles and doubles method based on complete diagrammatic equations
Toru Shiozaki, Muneaki Kamiya, So Hirata, et al.
Journal of Chemical Theory and Computation
|
October 27, 2016
Clustered Low-Rank Tensor Format: Introduction and Application to Fast Construction of Hartree-Fock Exchange
Cannada A Lewis, Justus A Calvin, Edward F Valeev
The Journal of Chemical Physics
|
September 18, 2012
Computing many-body wave functions with guaranteed precision: the first-order Møller-Plesset wave function for the ground state of helium atom
Florian A Bischoff, Robert J Harrison, Edward F Valeev
Journal of the American Chemical Society
|
September 5, 2002
Estimates of the ab initio limit for pi-pi interactions: the benzene dimer
Mutasem Omar Sinnokrot, Edward F Valeev, C David Sherrill
The Journal of Chemical Physics
|
April 24, 2015
A tight distance-dependent estimator for screening three-center Coulomb integrals over Gaussian basis functions
David S Hollman, Henry F Schaefer, Edward F Valeev
Journal of Chemical Theory and Computation
|
December 1, 2015
Adaptive Steered Molecular Dynamics of the Long-Distance Unfolding of Neuropeptide Y
Gungor Ozer, Edward F Valeev, Stephen Quirk, et al.
Page
of 9