Rigorous algorithm for the electron repulsion integral over the generally contracted solid harmonic Gaussian-type orbitals

Kazuhiro Ishida

doi:10.1063/1.1316013

Rigorous algorithm for the electron repulsion integral over the generally contracted solid harmonic Gaussian-type orbitals

The Journal of Chemical Physics ◽

10.1063/1.1316013 ◽

2000 ◽

Vol 113 (18) ◽

pp. 7818-7829 ◽

Cited By ~ 19

Author(s):

Kazuhiro Ishida

Keyword(s):

Electron Repulsion Integral ◽

Gaussian Type ◽

Electron Repulsion

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ACE algorithm for the rapid evaluation of the electron-repulsion integral over Gaussian-type orbitals

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1996)59:3<209::aid-qua4>3.0.co;2-1 ◽

1996 ◽

Vol 59 (3) ◽

pp. 209-218 ◽

Cited By ~ 41

Author(s):

Kazuhiro Ishida

Keyword(s):

Rapid Evaluation ◽

Electron Repulsion Integral ◽

Gaussian Type ◽

Electron Repulsion ◽

Ace Algorithm

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Rapid algorithm for computing the electron repulsion integral over higher order Gaussian-type orbitals: Accompanying coordinate expansion method

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(199806)19:8<923::aid-jcc11>3.0.co;2-8 ◽

1998 ◽

Vol 19 (8) ◽

pp. 923-934 ◽

Cited By ~ 10

Author(s):

Kazuhiro Ishida

Keyword(s):

Expansion Method ◽

Higher Order ◽

Electron Repulsion Integral ◽

Gaussian Type ◽

Electron Repulsion

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Rigorous and rapid calculation of the electron repulsion integral over the uncontracted solid harmonic Gaussian-type orbitals

The Journal of Chemical Physics ◽

10.1063/1.479785 ◽

1999 ◽

Vol 111 (11) ◽

pp. 4913-4922 ◽

Cited By ~ 17

Author(s):

Kazuhiro Ishida

Keyword(s):

Electron Repulsion Integral ◽

Gaussian Type ◽

Electron Repulsion ◽

Rapid Calculation

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General formula evaluation of the electron‐repulsion integral (ERI) and its derivatives over Gaussian‐type orbitals. II. ERI evaluation improved

The Journal of Chemical Physics ◽

10.1063/1.464196 ◽

1993 ◽

Vol 98 (3) ◽

pp. 2176-2181 ◽

Cited By ~ 19

Author(s):

Kazuhiro Ishida

Keyword(s):

General Formula ◽

Electron Repulsion Integral ◽

Gaussian Type ◽

Electron Repulsion

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Rigorous formula for the fast calculation of the electron repulsion integral over the solid harmonic Gaussian-type orbitals

The Journal of Chemical Physics ◽

10.1063/1.476628 ◽

1998 ◽

Vol 109 (3) ◽

pp. 881-890 ◽

Cited By ~ 20

Author(s):

Kazuhiro Ishida

Keyword(s):

Fast Calculation ◽

Electron Repulsion Integral ◽

Gaussian Type ◽

Electron Repulsion

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Improvements in Algorithms for Two Electron Repulsion Integrals Evaluation in Gaussian Type Basis Sets

10.1063/1.2836226 ◽

2007 ◽

Author(s):

Marcin Makowski ◽

Theodore E. Simos ◽

George Maroulis

Keyword(s):

Basis Sets ◽

Gaussian Type ◽

Electron Repulsion ◽

Electron Repulsion Integrals

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Significance of the Pariser Approximation on the One‐Center Electron Repulsion Integral

The Journal of Chemical Physics ◽

10.1063/1.1701798 ◽

1967 ◽

Vol 47 (12) ◽

pp. 5335-5338 ◽

Cited By ~ 9

Author(s):

Tosinobu Anno

Keyword(s):

Electron Repulsion Integral ◽

Electron Repulsion ◽

The One

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libreta: Computerized Optimization and Code Synthesis for Electron Repulsion Integral Evaluation

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.7b00788 ◽

2018 ◽

Vol 14 (2) ◽

pp. 572-587 ◽

Cited By ~ 7

Author(s):

Jun Zhang

Keyword(s):

Integral Evaluation ◽

Electron Repulsion Integral ◽

Electron Repulsion

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Evaluation of electron repulsion integral of the explicitly correlated Gaussian-nuclear orbital plus molecular orbital theory

Chemical Physics Letters ◽

10.1016/j.cplett.2011.11.023 ◽

2012 ◽

Vol 521 ◽

pp. 142-149 ◽

Cited By ~ 11

Author(s):

Hiroaki Nishizawa ◽

Minoru Hoshino ◽

Yutaka Imamura ◽

Hiromi Nakai

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Electron Repulsion Integral ◽

Electron Repulsion ◽

Explicitly Correlated

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CALCULATION OF BASIC PARAMETERS NECESSARY FOR QUANTUM CHEMICAL CALCULATIONS ON BORON-CONTAINING MOLECULES. 1. ONE-CENTER ELECTRON REPULSION INTEGRAL (PP/PP)B

10.21236/ad0295629 ◽

1962 ◽

Author(s):

Joyce J. Kaufman ◽

Gaston Berthier

Keyword(s):

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Electron Repulsion Integral ◽

Electron Repulsion ◽

Basic Parameters

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