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Physical Chemistry Chemical Physics : PCCP
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May 5, 2017
A theoretical study on hot charge-transfer states and dimensional effects of organic photocells based on an ideal diode model
Tomomi Shimazaki, Takahito Nakajima
The Journal of Chemical Physics
|
February 23, 2015
Theoretical study of a screened Hartree-Fock exchange potential using position-dependent atomic dielectric constants
Tomomi Shimazaki, Takahito Nakajima
The Journal of Chemical Physics
|
February 1, 2023
Douglas-Kroll and infinite order two-component transformations of Dirac-Fock operator
Nobuki Inoue, Takahito Nakajima
Journal of Computational Chemistry
|
July 11, 2023
Analytical quadrature method using recurrence formulas for two-electron integrals of frequency-dependent Breit interaction
Nobuki Inoue, Takahito Nakajima
The Journal of Chemical Physics
|
January 17, 2020
Quantum mechanical/molecular mechanical trajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theory
Noriyuki Minezawa, Takahito Nakajima
Journal of Computational Chemistry
|
January 16, 2023
Realistic nuclear charge distribution model function for analytic nuclear attraction integrals in Gaussian basis functions
Nobuki Inoue, Takahito Nakajima
Journal of Computational Chemistry
|
January 31, 2017
MPI/OpenMP hybrid parallel algorithm for resolution of identity second-order Møller-Plesset perturbation calculation of analytical energy gradient for massively parallel multicore supercomputers
Michio Katouda, Takahito Nakajima
The Journal of Physical Chemistry. A
|
January 25, 2017
Two-Component Relativistic Equation-of-Motion Coupled-Cluster Methods for Excitation Energies and Ionization Potentials of Atoms and Molecules
Yoshinobu Akinaga, Takahito Nakajima
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2016
Application of the dielectric-dependent screened exchange potential approach to organic photocell materials
Tomomi Shimazaki, Takahito Nakajima
The Journal of Chemical Physics
|
June 3, 2019
Trajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theory
Noriyuki Minezawa, Takahito Nakajima
Page
of 24
Search research articles
Search
Showing results (1-10 of 239) with videos related to
Sort By:
Page
of 24
Physical Chemistry Chemical Physics : PCCP
|
May 5, 2017
A theoretical study on hot charge-transfer states and dimensional effects of organic photocells based on an ideal diode model
Tomomi Shimazaki, Takahito Nakajima
The Journal of Chemical Physics
|
February 23, 2015
Theoretical study of a screened Hartree-Fock exchange potential using position-dependent atomic dielectric constants
Tomomi Shimazaki, Takahito Nakajima
The Journal of Chemical Physics
|
February 1, 2023
Douglas-Kroll and infinite order two-component transformations of Dirac-Fock operator
Nobuki Inoue, Takahito Nakajima
Journal of Computational Chemistry
|
July 11, 2023
Analytical quadrature method using recurrence formulas for two-electron integrals of frequency-dependent Breit interaction
Nobuki Inoue, Takahito Nakajima
The Journal of Chemical Physics
|
January 17, 2020
Quantum mechanical/molecular mechanical trajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theory
Noriyuki Minezawa, Takahito Nakajima
Journal of Computational Chemistry
|
January 16, 2023
Realistic nuclear charge distribution model function for analytic nuclear attraction integrals in Gaussian basis functions
Nobuki Inoue, Takahito Nakajima
Journal of Computational Chemistry
|
January 31, 2017
MPI/OpenMP hybrid parallel algorithm for resolution of identity second-order Møller-Plesset perturbation calculation of analytical energy gradient for massively parallel multicore supercomputers
Michio Katouda, Takahito Nakajima
The Journal of Physical Chemistry. A
|
January 25, 2017
Two-Component Relativistic Equation-of-Motion Coupled-Cluster Methods for Excitation Energies and Ionization Potentials of Atoms and Molecules
Yoshinobu Akinaga, Takahito Nakajima
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2016
Application of the dielectric-dependent screened exchange potential approach to organic photocell materials
Tomomi Shimazaki, Takahito Nakajima
The Journal of Chemical Physics
|
June 3, 2019
Trajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theory
Noriyuki Minezawa, Takahito Nakajima
Page
of 24