Evaluation of molecular integrals over Gaussian basis functions

Michel Dupuis; John Rys; Harry F. King

doi:10.1063/1.432807

Evaluation of molecular integrals over Gaussian basis functions

The Journal of Chemical Physics ◽

10.1063/1.432807 ◽

1976 ◽

Vol 65 (1) ◽

pp. 111-116 ◽

Cited By ~ 648

Author(s):

Michel Dupuis ◽

John Rys ◽

Harry F. King

Keyword(s):

Basis Functions ◽

Molecular Integrals ◽

Gaussian Basis Functions

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Molecular integrals Over Gaussian Basis Functions

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(08)60019-2 ◽

1994 ◽

pp. 141-205 ◽

Cited By ~ 150

Author(s):

Peter M.W. Gill

Keyword(s):

Basis Functions ◽

Molecular Integrals ◽

Gaussian Basis Functions

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Slater and Gaussian basis functions and computation of molecular integrals

Mathematical Physics in Theoretical Chemistry ◽

10.1016/b978-0-12-813651-5.00002-4 ◽

2019 ◽

pp. 31-61

Author(s):

Inga S. Ulusoy ◽

Angela K. Wilson

Keyword(s):

Basis Functions ◽

Molecular Integrals ◽

Gaussian Basis Functions

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Evaluation of screened nuclear attraction and electron repulsion molecular integrals over Gaussian basis functions

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1997)62:3<273::aid-qua5>3.0.co;2-t ◽

1997 ◽

Vol 62 (3) ◽

pp. 273-278 ◽

Cited By ~ 6

Author(s):

J. M. Ugalde ◽

C. Sarasola

Keyword(s):

Basis Functions ◽

Electron Repulsion ◽

Molecular Integrals ◽

Gaussian Basis Functions ◽

Nuclear Attraction

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Optimal use of the recurrence relations for the evaluation of molecular integrals over Cartesian Gaussian basis functions

Journal of Computational Chemistry ◽

10.1002/jcc.540140107 ◽

1993 ◽

Vol 14 (1) ◽

pp. 30-36 ◽

Cited By ~ 3

Author(s):

Ungsik Ryu ◽

Myeongcheol Kim ◽

Yoon Sup Lee

Keyword(s):

Recurrence Relations ◽

Basis Functions ◽

Molecular Integrals ◽

Gaussian Basis Functions

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Modeling and Identifying Dynamic Derivatives of a Delta-Wing Aircraft Using Gaussian Basis Functions

AIAA Scitech 2021 Forum ◽

10.2514/6.2021-1425 ◽

2021 ◽

Author(s):

Daiki Kai ◽

Hiroki Sugiura ◽

Asei Tezuka

Keyword(s):

Delta Wing ◽

Basis Functions ◽

Gaussian Basis Functions ◽

Derivatives Of

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Adding electron-nuclear cusps to Gaussian basis functions for molecular quantum Monte Carlo calculations

Physical Review B ◽

10.1103/physrevb.76.115115 ◽

2007 ◽

Vol 76 (11) ◽

Cited By ~ 7

Author(s):

Jörg Kussmann ◽

Christian Ochsenfeld

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Basis Functions ◽

Monte Carlo Calculations ◽

Gaussian Basis Functions

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Computation of electron repulsion integrals involving contracted Gaussian basis functions

Journal of Computational Physics ◽

10.1016/0021-9991(78)90001-3 ◽

1978 ◽

Vol 27 (2) ◽

pp. 161-168 ◽

Cited By ~ 146

Author(s):

John A Pople ◽

Warren J Hehre

Keyword(s):

Basis Functions ◽

Electron Repulsion ◽

Electron Repulsion Integrals ◽

Gaussian Basis Functions

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Noise robust speech recognition using Gaussian basis functions for non-linear likelihood function approximation

IEEE International Conference on Acoustics Speech and Signal Processing ◽

10.1109/icassp.2002.5743740 ◽

2002 ◽

Author(s):

Chris Pal ◽

Brendan Frey ◽

Trausti Kristjansson

Keyword(s):

Speech Recognition ◽

Function Approximation ◽

Likelihood Function ◽

Basis Functions ◽

Robust Speech Recognition ◽

Non Linear ◽

Noise Robust Speech Recognition ◽

Gaussian Basis Functions ◽

Noise Robust

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Approximation of Gaussian basis functions in the problem of adaptive control of nonlinear objects

Cybernetics and Systems Analysis ◽

10.1007/s10559-011-9285-7 ◽

2011 ◽

Vol 47 (1) ◽

pp. 1-10 ◽

Cited By ~ 2

Author(s):

O. G. Rudenko ◽

A. A. Bezsonov ◽

A. S. Liashenko ◽

R. A. Sunna

Keyword(s):

Adaptive Control ◽

Basis Functions ◽

Gaussian Basis Functions

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Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters

The Journal of Chemical Physics ◽

10.1063/1.2204605 ◽

2006 ◽

Vol 124 (22) ◽

pp. 224317 ◽

Cited By ~ 32

Author(s):

Sergiy Bubin ◽

Ludwik Adamowicz

Keyword(s):

Basis Functions ◽

Matrix Elements ◽

Explicitly Correlated ◽

Gaussian Basis Functions ◽

Complex Exponential

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