Molecular Integrals Evaluated over Contracted Gaussian Functions

Journal of Computer Chemistry Japan ◽

10.2477/jccj.4.165 ◽

2005 ◽

Vol 4 (4) ◽

pp. 165-174 ◽

Author(s):

Hiroaki HONDA ◽

Shigeru OBARA

Keyword(s):

Gaussian Functions ◽

Molecular Integrals

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Molecular integrals evaluated over contracted Gaussian functions by using auxiliary contracted hyper-Gaussian functions

The Journal of Chemical Physics ◽

10.1063/1.1485958 ◽

2002 ◽

Vol 117 (4) ◽

pp. 1457-1469 ◽

Author(s):

Hiroaki Honda ◽

Takayoshi Yamaki ◽

Shigeru Obara

Keyword(s):

Gaussian Functions ◽

Molecular Integrals

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A combination of programs for calculating molecular integrals by means of the simplest Gaussian functions

Journal of Structural Chemistry ◽

10.1007/bf00745932 ◽

1970 ◽

Vol 10 (6) ◽

pp. 1019-1020

Author(s):

I. Ts. Lyast ◽

V. G. Kashitsyna

Keyword(s):

Gaussian Functions ◽

Molecular Integrals

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Computation of molecular integrals over partially generalized hermite-gaussian functions

Journal of Computational Physics ◽

10.1016/0021-9991(89)90244-1 ◽

1989 ◽

Vol 84 (2) ◽

pp. 474-482 ◽

Author(s):

Miljenko Primorac

Keyword(s):

Gaussian Functions ◽

Molecular Integrals

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Program for calculating molecular integrals in grouped Cartesian Gaussian functions

Journal of Structural Chemistry ◽

10.1007/bf00745523 ◽

1979 ◽

Vol 20 (2) ◽

pp. 314-315

Author(s):

V. I. Pupyshev ◽

V. Ya. Simkin

Keyword(s):

Gaussian Functions ◽

Molecular Integrals

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Formulas for the Derivatives of Molecular Integrals Based on Hermite–Gaussian Functions

The Journal of Chemical Physics ◽

10.1063/1.1669993 ◽

1968 ◽

Vol 49 (11) ◽

pp. 5019-5022 ◽

Author(s):

T. Živković

Keyword(s):

Gaussian Functions ◽

Molecular Integrals ◽

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Multicenter molecular integrals of spherical Gaussian functions by Fourier transform convolution theorem

The Journal of Chemical Physics ◽

10.1063/1.470857 ◽

1996 ◽

Vol 104 (2) ◽

pp. 616-628 ◽

Author(s):

Mohammad Moharerrzadeh ◽

Lue‐Yung Chow Chiu

Keyword(s):

Fourier Transform ◽

Convolution Theorem ◽

Gaussian Functions ◽

Molecular Integrals

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Explicit Formulas for Molecular Integrals over Hermite–Gaussian Functions

The Journal of Chemical Physics ◽

10.1063/1.1670551 ◽

1968 ◽

Vol 49 (7) ◽

pp. 3083-3087 ◽

Author(s):

T. Živković ◽

Z. B. Maksić

Keyword(s):

Explicit Formulas ◽

Gaussian Functions ◽

Molecular Integrals

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General recurrence formulas for molecular integrals over Cartesian Gaussian functions

The Journal of Chemical Physics ◽

10.1063/1.455717 ◽

1988 ◽

Vol 89 (3) ◽

pp. 1540-1559 ◽

Author(s):

S. Obara ◽

A. Saika

Keyword(s):

Gaussian Functions ◽

Recurrence Formulas ◽

Molecular Integrals

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The addition theorem of spherical Laguerre Gaussian functions and its application in molecular integrals

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(00)00704-1 ◽

2001 ◽

Vol 536 (2-3) ◽

pp. 263-267 ◽

Author(s):

L.-Y. Chow Chiu ◽

M. Moharerrzadeh

Keyword(s):

Addition Theorem ◽

Gaussian Functions ◽

Molecular Integrals

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Formulation of molecular integrals over Gaussian functions treatable by both the Laplace and Fourier transforms of spatial operators by using derivative of Fourier‐kernel multiplied Gaussians

The Journal of Chemical Physics ◽

10.1063/1.459751 ◽

1991 ◽

Vol 94 (5) ◽

pp. 3790-3804 ◽

Author(s):

Masaru Honda ◽

Kikue Sato ◽

Shigeru Obara

Keyword(s):

Fourier Transforms ◽

Laplace And Fourier Transforms ◽

Gaussian Functions ◽

Molecular Integrals ◽

Spatial Operators ◽

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