Molecular integrals over Gaussian-type geminal basis functions

Theoretical Chemistry Accounts ◽

10.1007/s002140050258 ◽

1997 ◽

Vol 97 (1-4) ◽

pp. 240-250 ◽

Cited By ~ 40

Author(s):

B. Joakim Persson ◽

Peter R. Taylor

Keyword(s):

Basis Functions ◽

Gaussian Type ◽

Molecular Integrals

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Range-separation by the Yukawa potential in long-range corrected density functional theory with Gaussian-type basis functions

Chemical Physics Letters ◽

10.1016/j.cplett.2008.07.103 ◽

2008 ◽

Vol 462 (4-6) ◽

pp. 348-351 ◽

Cited By ~ 47

Author(s):

Yoshinobu Akinaga ◽

Seiichiro Ten-no

Keyword(s):

Density Functional Theory ◽

Long Range ◽

Density Functional ◽

Yukawa Potential ◽

Basis Functions ◽

Functional Theory ◽

Gaussian Type

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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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Photoionization cross sections of H2+ and H2with complex Gaussian-type basis functions optimized for the frequency-dependent polarizabilities

Journal of Computational Chemistry ◽

10.1002/jcc.20992 ◽

2008 ◽

Vol 29 (14) ◽

pp. 2471-2478 ◽

Cited By ~ 9

Author(s):

Masato Morita ◽

Satoshi Yabushita

Keyword(s):

Cross Sections ◽

Basis Functions ◽

Frequency Dependent ◽

Gaussian Type

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MOLECULAR INTEGRALS WITH GAUSSIAN TYPE ORBITALS 1s

Ideas of Quantum Chemistry ◽

10.1016/b978-044452227-6/50032-6 ◽

2007 ◽

pp. 1004-1005

Keyword(s):

Gaussian Type ◽

Molecular Integrals

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Molecular integrals over spherical Laguerre Gaussian‐type functions

The Journal of Chemical Physics ◽

10.1063/1.457744 ◽

1990 ◽

Vol 92 (7) ◽

pp. 4364-4371 ◽

Cited By ~ 22

Author(s):

Osamu Matsuoka

Keyword(s):

Gaussian Type ◽

Molecular Integrals

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Molecular Integrals over the Solid Harmonic Gaussian-Type Orbitals

ChemInform ◽

10.1002/chin.200313274 ◽

2003 ◽

Vol 34 (13) ◽

Author(s):

Kazuhiro Ishida

Keyword(s):

Gaussian Type ◽

Molecular Integrals

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Molecular integrals in terms of ellipsoidal gaussian-type orbitals

Chemical Physics Letters ◽

10.1016/0009-2614(71)80014-3 ◽

1971 ◽

Vol 8 (2) ◽

pp. 201-207 ◽

Cited By ~ 6

Author(s):

D.B. Cook ◽

P.Th. van Duijnen

Keyword(s):

Gaussian Type ◽

Molecular Integrals

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First derivative of molecular integrals for electronic energy using spherical gaussian type orbitals

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04727-6 ◽

1997 ◽

Vol 389 (1-2) ◽

pp. 169-177 ◽

Cited By ~ 5

Author(s):

A.H. Pakiari ◽

M. Oftadeh

Keyword(s):

Electronic Energy ◽

First Derivative ◽

Gaussian Type ◽

Molecular Integrals

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Molecular Integrals with Gaussian-Type Orbitals 1s

Ideas of Quantum Chemistry ◽

10.1016/b978-0-44-464246-2.00033-1 ◽

2020 ◽

pp. 729-730

Keyword(s):

Gaussian Type ◽

Molecular Integrals

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Contracted Gaussian-type basis functions revisited. IV. Atoms Rb to Xe

Theoretical Chemistry Accounts ◽

10.1007/s00214-002-0354-x ◽

2002 ◽

Vol 108 (1) ◽

pp. 41-45 ◽

Cited By ~ 33

Author(s):

Toshikatsu Koga ◽

Shigeyoshi Yamamoto ◽

Tsuyoshi Shimazaki ◽

Hiroshi Tatewaki

Keyword(s):

Basis Functions ◽

Gaussian Type

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