Search research articles
Contact Us
Filters
Showing results (1-10 of 23) with videos related to
Page
of 3
Sort By:
The Journal of Chemical Physics
|
July 5, 2012
Local unitary transformation method for large-scale two-component relativistic calculations: case for a one-electron Dirac Hamiltonian
Junji Seino, Hiromi Nakai
The Journal of Chemical Physics
|
May 13, 2010
Magnetic shielding constants calculated by the infinite-order Douglas-Kroll-Hess method with electron-electron relativistic corrections
Junji Seino, Masahiko Hada
Journal of Computational Chemistry
|
July 26, 2016
Informatics-Based Energy Fitting Scheme for Correlation Energy at Complete Basis Set Limit
Junji Seino, Hiromi Nakai
The Journal of Chemical Physics
|
October 16, 2012
Local unitary transformation method for large-scale two-component relativistic calculations. II. Extension to two-electron Coulomb interaction
Junji Seino, Hiromi Nakai
The Journal of Chemical Physics
|
July 26, 2013
Local unitary transformation method toward practical electron correlation calculations with scalar relativistic effect in large-scale molecules
Junji Seino, Hiromi Nakai
The Journal of Chemical Physics
|
January 7, 2014
Analytical energy gradient based on spin-free infinite-order Douglas-Kroll-Hess method with local unitary transformation
Yuya Nakajima, Junji Seino, Hiromi Nakai
Journal of Computational Chemistry
|
June 4, 2014
Extension of accompanying coordinate expansion and recurrence relation method for general-contraction basis sets
Masao Hayami, Junji Seino, Hiromi Nakai
Journal of Chemical Theory and Computation
|
April 6, 2016
Implementation of Analytical Energy Gradient of Spin-Dependent General Hartree-Fock Method Based on the Infinite-Order Douglas-Kroll-Hess Relativistic Hamiltonian with Local Unitary Transformation
Yuya Nakajima, Junji Seino, Hiromi Nakai
The Journal of Chemical Physics
|
June 1, 2015
Accompanying coordinate expansion and recurrence relation method using a transfer relation scheme for electron repulsion integrals with high angular momenta and long contractions
Masao Hayami, Junji Seino, Hiromi Nakai
Journal of Computational Chemistry
|
April 30, 2024
Using atomic clustering based on structural and electronic descriptors that consider surrounding environment to evaluate local properties of DFT functionals
Yuya Nakajima, Takuto Ohmura, Junji Seino
Page
of 3
Search research articles
Search
Showing results (1-10 of 23) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
July 5, 2012
Local unitary transformation method for large-scale two-component relativistic calculations: case for a one-electron Dirac Hamiltonian
Junji Seino, Hiromi Nakai
The Journal of Chemical Physics
|
May 13, 2010
Magnetic shielding constants calculated by the infinite-order Douglas-Kroll-Hess method with electron-electron relativistic corrections
Junji Seino, Masahiko Hada
Journal of Computational Chemistry
|
July 26, 2016
Informatics-Based Energy Fitting Scheme for Correlation Energy at Complete Basis Set Limit
Junji Seino, Hiromi Nakai
The Journal of Chemical Physics
|
October 16, 2012
Local unitary transformation method for large-scale two-component relativistic calculations. II. Extension to two-electron Coulomb interaction
Junji Seino, Hiromi Nakai
The Journal of Chemical Physics
|
July 26, 2013
Local unitary transformation method toward practical electron correlation calculations with scalar relativistic effect in large-scale molecules
Junji Seino, Hiromi Nakai
The Journal of Chemical Physics
|
January 7, 2014
Analytical energy gradient based on spin-free infinite-order Douglas-Kroll-Hess method with local unitary transformation
Yuya Nakajima, Junji Seino, Hiromi Nakai
Journal of Computational Chemistry
|
June 4, 2014
Extension of accompanying coordinate expansion and recurrence relation method for general-contraction basis sets
Masao Hayami, Junji Seino, Hiromi Nakai
Journal of Chemical Theory and Computation
|
April 6, 2016
Implementation of Analytical Energy Gradient of Spin-Dependent General Hartree-Fock Method Based on the Infinite-Order Douglas-Kroll-Hess Relativistic Hamiltonian with Local Unitary Transformation
Yuya Nakajima, Junji Seino, Hiromi Nakai
The Journal of Chemical Physics
|
June 1, 2015
Accompanying coordinate expansion and recurrence relation method using a transfer relation scheme for electron repulsion integrals with high angular momenta and long contractions
Masao Hayami, Junji Seino, Hiromi Nakai
Journal of Computational Chemistry
|
April 30, 2024
Using atomic clustering based on structural and electronic descriptors that consider surrounding environment to evaluate local properties of DFT functionals
Yuya Nakajima, Takuto Ohmura, Junji Seino
Page
of 3