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The Journal of Chemical Physics
|
October 17, 2015
Long-range corrected density functional theory with accelerated Hartree-Fock exchange integration using a two-Gaussian operator [LC-ωPBE(2Gau)]
Jong-Won Song, Kimihiko Hirao
Journal of Computational Chemistry
|
November 20, 2018
Accelerated long-range corrected exchange functional using a two-gaussian operator combined with one-parameter progressive correlation functional [LC-BOP(2Gau)]
Jong-Won Song, Kimihiko Hirao
The Journal of Chemical Physics
|
July 17, 2015
Efficient method of evaluation for Gaussian Hartree-Fock exchange operator for Gau-PBE functional
Jong-Won Song, Kimihiko Hirao
Molecules (Basel, Switzerland)
|
March 3, 2019
A Density Functional Theory-Based Scheme to Compute the Redox Potential of a Transition Metal Complex: Applications to Heme Compound
Toru Matsui, Jong-Won Song
Journal of Computational Chemistry
|
December 22, 2020
Assessment of long-range corrected density functional theory on the absorption and vibrationally resolved fluorescence spectrum of carbon nanobelts
Dae-Hwan Ahn, Jong-Won Song
The Journal of Chemical Physics
|
August 25, 2011
Communication: a new hybrid exchange correlation functional for band-gap calculations using a short-range Gaussian attenuation (Gaussian-Perdue-Burke-Ernzerhof)
Jong-Won Song, Koichi Yamashita, Kimihiko Hirao
The Journal of Chemical Physics
|
January 3, 2013
Gaussian attenuation hybrid scheme applied to the Ernzerhof-Perdew exchange hole model (Gau-PBEh)
Jong-Won Song, Koichi Yamashita, Kimihiko Hirao
Journal of Computational Chemistry
|
January 10, 2013
Long-range corrected functionals satisfy Koopmans' theorem: calculation of correlation and relaxation energies
Rahul Kar, Jong-Won Song, Kimihiko Hirao
Journal of Computational Chemistry
|
September 29, 2011
A semiempirical long-range corrected exchange correlation functional including a short-range Gaussian attenuation (LCgau-B97)
Jong-Won Song, Daoling Peng, Kimihiko Hirao
Journal of Computational Chemistry
|
February 15, 2020
Predicting whether aromatic molecules would prefer to enter a carbon nanotube: A density functional theory study
Dae-Hwan Ahn, Chiyoung Park, Jong-Won Song
Page
of 6
Search research articles
Search
Showing results (1-10 of 51) with videos related to
Sort By:
Page
of 6
The Journal of Chemical Physics
|
October 17, 2015
Long-range corrected density functional theory with accelerated Hartree-Fock exchange integration using a two-Gaussian operator [LC-ωPBE(2Gau)]
Jong-Won Song, Kimihiko Hirao
Journal of Computational Chemistry
|
November 20, 2018
Accelerated long-range corrected exchange functional using a two-gaussian operator combined with one-parameter progressive correlation functional [LC-BOP(2Gau)]
Jong-Won Song, Kimihiko Hirao
The Journal of Chemical Physics
|
July 17, 2015
Efficient method of evaluation for Gaussian Hartree-Fock exchange operator for Gau-PBE functional
Jong-Won Song, Kimihiko Hirao
Molecules (Basel, Switzerland)
|
March 3, 2019
A Density Functional Theory-Based Scheme to Compute the Redox Potential of a Transition Metal Complex: Applications to Heme Compound
Toru Matsui, Jong-Won Song
Journal of Computational Chemistry
|
December 22, 2020
Assessment of long-range corrected density functional theory on the absorption and vibrationally resolved fluorescence spectrum of carbon nanobelts
Dae-Hwan Ahn, Jong-Won Song
The Journal of Chemical Physics
|
August 25, 2011
Communication: a new hybrid exchange correlation functional for band-gap calculations using a short-range Gaussian attenuation (Gaussian-Perdue-Burke-Ernzerhof)
Jong-Won Song, Koichi Yamashita, Kimihiko Hirao
The Journal of Chemical Physics
|
January 3, 2013
Gaussian attenuation hybrid scheme applied to the Ernzerhof-Perdew exchange hole model (Gau-PBEh)
Jong-Won Song, Koichi Yamashita, Kimihiko Hirao
Journal of Computational Chemistry
|
January 10, 2013
Long-range corrected functionals satisfy Koopmans' theorem: calculation of correlation and relaxation energies
Rahul Kar, Jong-Won Song, Kimihiko Hirao
Journal of Computational Chemistry
|
September 29, 2011
A semiempirical long-range corrected exchange correlation functional including a short-range Gaussian attenuation (LCgau-B97)
Jong-Won Song, Daoling Peng, Kimihiko Hirao
Journal of Computational Chemistry
|
February 15, 2020
Predicting whether aromatic molecules would prefer to enter a carbon nanotube: A density functional theory study
Dae-Hwan Ahn, Chiyoung Park, Jong-Won Song
Page
of 6