Orbit-orbit molecular integrals over Gaussian orbitals

B. W. N. Lo

doi:10.1002/qua.560090612

Orbit-orbit molecular integrals over Gaussian orbitals

International Journal of Quantum Chemistry ◽

10.1002/qua.560090612 ◽

1975 ◽

Vol 9 (6) ◽

pp. 1055-1067 ◽

Cited By ~ 5

Author(s):

B. W. N. Lo

Keyword(s):

Molecular Integrals ◽

Gaussian Orbitals

Download Full-text

A Mechanization of Algebraic Differentiation and the Automatic Generation of Formulae for Molecular Integrals of Gaussian Orbitals

The Computer Journal ◽

10.1093/comjnl/6.3.287 ◽

1963 ◽

Vol 6 (3) ◽

pp. 287-292 ◽

Cited By ~ 8

Author(s):

R. Fletcher ◽

C. M. Reeves

Keyword(s):

Automatic Generation ◽

Molecular Integrals ◽

Gaussian Orbitals

Download Full-text

Structural-energy calculations based on norm-conserving pseudopotentials and localized Gaussian orbitals

Physical Review B ◽

10.1103/physrevb.24.4745 ◽

1981 ◽

Vol 24 (8) ◽

pp. 4745-4752 ◽

Cited By ~ 162

Author(s):

G. B. Bachelet ◽

H. S. Greenside ◽

G. A. Baraff ◽

M. Schlüter

Keyword(s):

Energy Calculations ◽

Gaussian Orbitals

Download Full-text

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 ◽

Cited By ~ 11

Author(s):

Hiroaki Honda ◽

Takayoshi Yamaki ◽

Shigeru Obara

Keyword(s):

Gaussian Functions ◽

Molecular Integrals

Download Full-text

Multicenter integrals of spherical Laguerre Gaussian orbitals by generalized spherical gradient operators

The Journal of Chemical Physics ◽

10.1063/1.475960 ◽

1998 ◽

Vol 108 (13) ◽

pp. 5230-5242 ◽

Cited By ~ 10

Author(s):

Lue-yung Chow Chiu ◽

Mohammad Moharerrzadeh

Keyword(s):

Multicenter Integrals ◽

Gaussian Orbitals

Download Full-text

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

Download Full-text

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

Download Full-text

MOLECULAR INTEGRALS FROM HYPERSPHERICAL HARMONICS

Hyperspherical Harmonics and Their Physical Applications ◽

10.1142/9789813229303_0009 ◽

2017 ◽

pp. 127-152

Keyword(s):

Hyperspherical Harmonics ◽

Molecular Integrals

Download Full-text

Molecular Integrals Evaluated over Contracted Gaussian Functions

Journal of Computer Chemistry Japan ◽

10.2477/jccj.4.165 ◽

2005 ◽

Vol 4 (4) ◽

pp. 165-174 ◽

Cited By ~ 2

Author(s):

Hiroaki HONDA ◽

Shigeru OBARA

Keyword(s):

Gaussian Functions ◽

Molecular Integrals

Download Full-text

Gaussian orbitals in calculations of the second-order corrections to the interaction energy of two hydrogen atoms

Chemical Physics Letters ◽

10.1016/0009-2614(71)85053-4 ◽

1971 ◽

Vol 12 (2) ◽

pp. 233-235 ◽

Cited By ~ 2

Author(s):

G. Chałasiński ◽

W. Kołos ◽

B. Petelenz ◽

L. Piela

Keyword(s):

Interaction Energy ◽

Second Order ◽

Hydrogen Atoms ◽

Gaussian Orbitals

Download Full-text

Molecular integrals with Slater basis. I. General approach

The Journal of Chemical Physics ◽

10.1063/1.456799 ◽

1989 ◽

Vol 91 (7) ◽

pp. 4204-4212 ◽

Cited By ~ 49

Author(s):

J. Fernández Rico ◽

R. López ◽

G. Ramírez

Keyword(s):

Molecular Integrals ◽

Slater Basis

Download Full-text