Solvent electronic polarization effect on the electronic transitions in solution: Charge polarizable reference interaction site model self-consistent field approach

Kazunari Naka; Akihiro Morita; Shigeki Kato

doi:10.1063/1.479329

Solvent electronic polarization effect on the electronic transitions in solution: Charge polarizable reference interaction site model self-consistent field approach

The Journal of Chemical Physics ◽

10.1063/1.479329 ◽

1999 ◽

Vol 111 (2) ◽

pp. 481-491 ◽

Cited By ~ 10

Author(s):

Kazunari Naka ◽

Akihiro Morita ◽

Shigeki Kato

Keyword(s):

Polarization Effect ◽

Electronic Transitions ◽

Electronic Polarization ◽

Interaction Site ◽

Field Approach ◽

Site Model ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Reference Interaction Site

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Analytical energy gradient for reference interaction site model self-consistent field explicitly including spatial electron density distribution

The Journal of Chemical Physics ◽

10.1063/1.3265856 ◽

2009 ◽

Vol 131 (21) ◽

pp. 214504 ◽

Cited By ~ 27

Author(s):

Daisuke Yokogawa ◽

Hirofumi Sato ◽

Shigeyoshi Sakaki

Keyword(s):

Density Distribution ◽

Electron Density ◽

Electron Density Distribution ◽

Interaction Site ◽

Site Model ◽

Consistent Field ◽

Energy Gradient ◽

Self Consistent ◽

Self Consistent Field ◽

Reference Interaction Site

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Solution reaction path Hamiltonian based on reference interaction site model self-consistent field method: Application to Menshutkin-type reactions

The Journal of Chemical Physics ◽

10.1063/1.1580803 ◽

2003 ◽

Vol 119 (3) ◽

pp. 1601-1610 ◽

Cited By ~ 11

Author(s):

Kazuhiro Ohmiya ◽

Shigeki Kato

Keyword(s):

Reaction Path ◽

Field Method ◽

Interaction Site ◽

Site Model ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Solution Reaction ◽

Reference Interaction Site ◽

Reaction Path Hamiltonian

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Solvation dynamics of benzonitrile excited state in polar solvents: A time-dependent reference interaction site model self-consistent field approach

The Journal of Chemical Physics ◽

10.1063/1.479083 ◽

1999 ◽

Vol 110 (23) ◽

pp. 11423-11432 ◽

Cited By ~ 22

Author(s):

Tateki Ishida ◽

Fumio Hirata ◽

Shigeki Kato

Keyword(s):

Excited State ◽

Time Dependent ◽

Solvation Dynamics ◽

Polar Solvents ◽

Interaction Site ◽

Field Approach ◽

Site Model ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Analytical energy gradient for the reference interaction site model multiconfigurational self‐consistent‐field method: Application to 1,2‐difluoroethylene in aqueous solution

The Journal of Chemical Physics ◽

10.1063/1.472015 ◽

1996 ◽

Vol 105 (4) ◽

pp. 1546-1551 ◽

Cited By ~ 168

Author(s):

Hirofumi Sato ◽

Fumio Hirata ◽

Shigeki Kato

Keyword(s):

Aqueous Solution ◽

Field Method ◽

Interaction Site ◽

Site Model ◽

Consistent Field ◽

Energy Gradient ◽

Self Consistent ◽

Self Consistent Field ◽

Reference Interaction Site

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Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: Application to solvatochromic shift calculations

The Journal of Chemical Physics ◽

10.1063/1.2431809 ◽

2007 ◽

Vol 126 (5) ◽

pp. 054511 ◽

Cited By ~ 21

Author(s):

Noriyuki Minezawa ◽

Shigeki Kato

Keyword(s):

Three Dimensional ◽

Field Method ◽

Efficient Implementation ◽

Solvatochromic Shift ◽

Interaction Site ◽

Site Model ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Reference Interaction Site

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Nuclear magnetic shielding of molecule in solution based on reference interaction site model self-consistent field with spatial electron density distribution

The Journal of Chemical Physics ◽

10.1063/5.0008903 ◽

2020 ◽

Vol 152 (19) ◽

pp. 194102 ◽

Cited By ~ 1

Author(s):

Kosuke Imamura ◽

Takeshi Yamazaki ◽

Daisuke Yokogawa ◽

Masahiro Higashi ◽

Hirofumi Sato

Keyword(s):

Density Distribution ◽

Electron Density ◽

Electron Density Distribution ◽

Magnetic Shielding ◽

Interaction Site ◽

Site Model ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Reference Interaction Site

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Three-Dimensional Reference Interaction Site Model Self-Consistent Field Study of the Electronic Structure of [Cr(H2O)6]3+ in Aqueous Solution

The Journal of Physical Chemistry A ◽

10.1021/jp405876g ◽

2013 ◽

Vol 117 (34) ◽

pp. 8314-8322 ◽

Cited By ~ 5

Author(s):

Shinya Fujishige ◽

Yukio Kawashima ◽

Norio Yoshida ◽

Haruyuki Nakano

Keyword(s):

Aqueous Solution ◽

Electronic Structure ◽

Field Study ◽

Three Dimensional ◽

Interaction Site ◽

Site Model ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Reference Interaction Site

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Reference interaction site model self‐consistent field study for solvation effect on carbonyl compounds in aqueous solution

The Journal of Chemical Physics ◽

10.1063/1.466888 ◽

1994 ◽

Vol 100 (10) ◽

pp. 7443-7453 ◽

Cited By ~ 222

Author(s):

Seiichiro Ten‐no ◽

Fumio Hirata ◽

Shigeki Kato

Keyword(s):

Aqueous Solution ◽

Field Study ◽

Carbonyl Compounds ◽

Solvation Effect ◽

Interaction Site ◽

Site Model ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Reference Interaction Site

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Theoretical Study on Electronic and Spin Structures of [Fe2S2]2+,+Cluster: Reference Interaction Site Model Self-Consistent Field (RISM-SCF) and Multireference Second-Order Møller−Plesset Perturbation Theory (MRMP) Approach

The Journal of Physical Chemistry A ◽

10.1021/jp0581429 ◽

2005 ◽

Vol 109 (43) ◽

pp. 9867-9874 ◽

Cited By ~ 11

Author(s):

Masahiro Higashi ◽

Shigeki Kato

Keyword(s):

Perturbation Theory ◽

Theoretical Study ◽

Spin Structures ◽

Interaction Site ◽

Site Model ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Linear response approximation to reference interaction site model self-consistent field explicitly including spatial electron density distribution. Free energy

The Journal of Chemical Physics ◽

10.1063/1.4802001 ◽

2013 ◽

Vol 138 (16) ◽

pp. 164109 ◽

Cited By ~ 4

Author(s):

D. Yokogawa

Keyword(s):

Free Energy ◽

Density Distribution ◽

Electron Density ◽

Linear Response ◽

Electron Density Distribution ◽

Interaction Site ◽

Site Model ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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