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The Journal of Chemical Physics
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March 23, 2020
A multireference coupled-electron pair approximation combined with complete-active space perturbation theory in local pair-natural orbital framework
Masaaki Saitow, Takeshi Yanai
The Journal of Chemical Physics
|
July 25, 2018
Accurate spin-densities based on the domain-based local pair-natural orbital coupled-cluster theory
Masaaki Saitow, Frank Neese
The Journal of Chemical Physics
|
September 1, 2022
A local pair-natural orbital-based complete-active space perturbation theory using orthogonal localized virtual molecular orbitals
Masaaki Saitow, Kazuma Uemura, Takeshi Yanai
The Journal of Chemical Physics
|
December 17, 2025
Analytical nuclear gradients for second-order Møller-Plesset perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals
Manami Hayashi, Masaaki Saitow, Takeshi Yanai
The Journal of Chemical Physics
|
August 2, 2013
Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function
Masaaki Saitow, Yuki Kurashige, Takeshi Yanai
Journal of Chemical Theory and Computation
|
November 18, 2015
Fully Internally Contracted Multireference Configuration Interaction Theory Using Density Matrix Renormalization Group: A Reduced-Scaling Implementation Derived by Computer-Aided Tensor Factorization
Masaaki Saitow, Yuki Kurashige, Takeshi Yanai
The Journal of Chemical Physics
|
December 2, 2020
<sup>57</sup>Fe Mössbauer parameters from domain based local pair-natural orbital coupled-cluster theory
Dipayan Datta, Masaaki Saitow, Barbara Sandhöfer, et al.
The Journal of Chemical Physics
|
April 24, 2023
Local N-electron valence state perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals
Kazuma Uemura, Masaaki Saitow, Takaki Ishimaru, et al.
The Journal of Physical Chemistry. A
|
August 31, 2023
Unraveling the Spin-State Energetics of FeN<sub>4</sub> Complexes with Ab Initio Methods
Quan Manh Phung, Ho Ngoc Nam, Masaaki Saitow
Journal of Chemical Theory and Computation
|
February 1, 2019
Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework
Ahmet Altun, Masaaki Saitow, Frank Neese, et al.
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Search research articles
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Showing results (1-10 of 23) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
March 23, 2020
A multireference coupled-electron pair approximation combined with complete-active space perturbation theory in local pair-natural orbital framework
Masaaki Saitow, Takeshi Yanai
The Journal of Chemical Physics
|
July 25, 2018
Accurate spin-densities based on the domain-based local pair-natural orbital coupled-cluster theory
Masaaki Saitow, Frank Neese
The Journal of Chemical Physics
|
September 1, 2022
A local pair-natural orbital-based complete-active space perturbation theory using orthogonal localized virtual molecular orbitals
Masaaki Saitow, Kazuma Uemura, Takeshi Yanai
The Journal of Chemical Physics
|
December 17, 2025
Analytical nuclear gradients for second-order Møller-Plesset perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals
Manami Hayashi, Masaaki Saitow, Takeshi Yanai
The Journal of Chemical Physics
|
August 2, 2013
Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function
Masaaki Saitow, Yuki Kurashige, Takeshi Yanai
Journal of Chemical Theory and Computation
|
November 18, 2015
Fully Internally Contracted Multireference Configuration Interaction Theory Using Density Matrix Renormalization Group: A Reduced-Scaling Implementation Derived by Computer-Aided Tensor Factorization
Masaaki Saitow, Yuki Kurashige, Takeshi Yanai
The Journal of Chemical Physics
|
December 2, 2020
<sup>57</sup>Fe Mössbauer parameters from domain based local pair-natural orbital coupled-cluster theory
Dipayan Datta, Masaaki Saitow, Barbara Sandhöfer, et al.
The Journal of Chemical Physics
|
April 24, 2023
Local N-electron valence state perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals
Kazuma Uemura, Masaaki Saitow, Takaki Ishimaru, et al.
The Journal of Physical Chemistry. A
|
August 31, 2023
Unraveling the Spin-State Energetics of FeN<sub>4</sub> Complexes with Ab Initio Methods
Quan Manh Phung, Ho Ngoc Nam, Masaaki Saitow
Journal of Chemical Theory and Computation
|
February 1, 2019
Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework
Ahmet Altun, Masaaki Saitow, Frank Neese, et al.
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of 3