Ab initiocalculations of structures and interaction energies of toluene dimers including CCSD(T) level electron correlation correction

Seiji Tsuzuki; Kazumasa Honda; Tadafumi Uchimaru; Masuhiro Mikami

doi:10.1063/1.1876092

Ab initiocalculations of structures and interaction energies of toluene dimers including CCSD(T) level electron correlation correction

The Journal of Chemical Physics ◽

10.1063/1.1876092 ◽

2005 ◽

Vol 122 (14) ◽

pp. 144323 ◽

Cited By ~ 67

Author(s):

Seiji Tsuzuki ◽

Kazumasa Honda ◽

Tadafumi Uchimaru ◽

Masuhiro Mikami

Keyword(s):

Electron Correlation ◽

Interaction Energies ◽

Correlation Correction

Download Full-text

Effects of the higher electron correlation correction on the calculated intermolecular interaction energies of benzene and naphthalene dimers: comparison between MP2 and CCSD(T) calculations

Chemical Physics Letters ◽

10.1016/s0009-2614(00)00170-6 ◽

2000 ◽

Vol 319 (5-6) ◽

pp. 547-554 ◽

Cited By ~ 167

Author(s):

Seiji Tsuzuki ◽

Tadafumi Uchimaru ◽

Kazunari Matsumura ◽

Masuhiro Mikami ◽

Kazutoshi Tanabe

Keyword(s):

Intermolecular Interaction ◽

Electron Correlation ◽

Interaction Energies ◽

Correlation Correction

Download Full-text

Calculating interaction energies in transition metal complexes with local electron correlation methods

The Journal of Chemical Physics ◽

10.1063/1.2982790 ◽

2008 ◽

Vol 129 (13) ◽

pp. 134101 ◽

Cited By ~ 11

Author(s):

J. Grant Hill ◽

James A. Platts

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Electron Correlation ◽

Interaction Energies ◽

Local Electron ◽

Correlation Methods

Download Full-text

Intermolecular Interaction between Hexafluorobenzene and Benzene: Ab Initio Calculations Including CCSD(T) Level Electron Correlation Correction

The Journal of Physical Chemistry A ◽

10.1021/jp054461o ◽

2006 ◽

Vol 110 (5) ◽

pp. 2027-2033 ◽

Cited By ~ 95

Author(s):

Seiji Tsuzuki ◽

Tadafumi Uchimaru ◽

Masuhiro Mikami

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Intermolecular Interaction ◽

Electron Correlation ◽

Correlation Correction

Download Full-text

ChemInform Abstract: Ab initio MO Calculations of the Internal Rotational Potential of Biphenyl Using Polarized Basis Sets with Electron Correlation Correction.

ChemInform ◽

10.1002/chin.199116044 ◽

2010 ◽

Vol 22 (16) ◽

pp. no-no

Author(s):

S. TSUZUKI ◽

K. TANABE

Keyword(s):

Ab Initio ◽

Electron Correlation ◽

Basis Sets ◽

Mo Calculations ◽

Polarized Basis Sets ◽

Correlation Correction ◽

Ab Initio Mo Calculations ◽

Ab Initio Mo

Download Full-text

Communication: Extension of a universal explicit electron correlation correction to general complete active spaces

The Journal of Chemical Physics ◽

10.1063/1.4810748 ◽

2013 ◽

Vol 138 (21) ◽

pp. 211101 ◽

Cited By ~ 7

Author(s):

Robin Haunschild ◽

Lan Cheng ◽

Debashis Mukherjee ◽

Wim Klopper

Keyword(s):

Electron Correlation ◽

Correlation Correction ◽

Explicit Electron

Download Full-text

Ab initio molecular orbital calculations of the internal rotational potential of biphenyl using polarized basis sets with electron correlation correction

The Journal of Physical Chemistry ◽

10.1021/j100154a030 ◽

1991 ◽

Vol 95 (1) ◽

pp. 139-144 ◽

Cited By ~ 99

Author(s):

Seiji Tsuzuki ◽

Kazutoshi Tanabe

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Electron Correlation ◽

Basis Sets ◽

Molecular Orbital Calculations ◽

Polarized Basis Sets ◽

Correlation Correction

Download Full-text

A universal explicit electron correlation correction applied to Mukherjee’s multi-reference perturbation theory

Chemical Physics Letters ◽

10.1016/j.cplett.2012.02.020 ◽

2012 ◽

Vol 531 ◽

pp. 247-251 ◽

Cited By ~ 19

Author(s):

Robin Haunschild ◽

Shuneng Mao ◽

Debashis Mukherjee ◽

Wim Klopper

Keyword(s):

Perturbation Theory ◽

Electron Correlation ◽

Correlation Correction ◽

Explicit Electron

Download Full-text

Intermolecular interaction energies from fourth order many-body perturbation theory. Impact of individual electron correlation contributions

The Journal of Chemical Physics ◽

10.1063/1.5112178 ◽

2019 ◽

Vol 151 (11) ◽

pp. 114105

Author(s):

Andreas Heßelmann

Keyword(s):

Perturbation Theory ◽

Intermolecular Interaction ◽

Fourth Order ◽

Electron Correlation ◽

Interaction Energies ◽

Many Body ◽

Many Body Perturbation Theory

Download Full-text

Effects of basis set and electron correlation on the calculated interaction energies of hydrogen bonding complexes: MP2/cc-pV5Z calculations of H2O–MeOH, H2O–Me2O, H2O–H2CO, MeOH–MeOH, and HCOOH–HCOOH complexes

The Journal of Chemical Physics ◽

10.1063/1.479130 ◽

1999 ◽

Vol 110 (24) ◽

pp. 11906-11910 ◽

Cited By ~ 79

Author(s):

Seiji Tsuzuki ◽

Tadafumi Uchimaru ◽

Kazunari Matsumura ◽

Masuhiro Mikami ◽

Kazutoshi Tanabe

Keyword(s):

Hydrogen Bonding ◽

Electron Correlation ◽

Basis Set ◽

Interaction Energies

Download Full-text

Conformational energy profiles of n-butane, ethyl methyl ether and ethyl methyl sulfide Comparison of electron correlation correction procedures

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(96)04522-8 ◽

1996 ◽

Vol 366 (1-2) ◽

pp. 89-96 ◽

Cited By ~ 7

Author(s):

Seiji Tsuzuki ◽

Tadafumi Uchimaru ◽

Kazutoshi Tanabe

Keyword(s):

Methyl Ether ◽

Electron Correlation ◽

Conformational Energy ◽

Methyl Sulfide ◽

Correlation Correction ◽

Ethyl Methyl ◽

Energy Profiles

Download Full-text