Calculating three-center nuclear attraction integrals in a Slater basis

D. Yu. Zelentsov; A. V. Niukkanen; V. I. Perevozchikov

doi:10.1007/bf00747460

Calculating three-center nuclear attraction integrals in a Slater basis

Journal of Structural Chemistry ◽

10.1007/bf00747460 ◽

1992 ◽

Vol 32 (6) ◽

pp. 919-920

Author(s):

D. Yu. Zelentsov ◽

A. V. Niukkanen ◽

V. I. Perevozchikov

Keyword(s):

Nuclear Attraction ◽

Slater Basis

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Molecular integrals with Slater basis. IV. Ellipsoidal coordinate methods for three‐center nuclear attraction integrals

The Journal of Chemical Physics ◽

10.1063/1.463481 ◽

1992 ◽

Vol 97 (10) ◽

pp. 7613-7622 ◽

Cited By ~ 23

Author(s):

J. Fernández Rico ◽

R. López ◽

G. Ramírez

Keyword(s):

Molecular Integrals ◽

Nuclear Attraction ◽

Slater Basis

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Molecular integrals with Slater basis. III. Three‐center nuclear attraction integrals

The Journal of Chemical Physics ◽

10.1063/1.460538 ◽

1991 ◽

Vol 94 (7) ◽

pp. 5032-5039 ◽

Cited By ~ 22

Author(s):

J. Fernández Rico ◽

R. López ◽

G. Ramírez

Keyword(s):

Molecular Integrals ◽

Nuclear Attraction ◽

Slater Basis

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Closed formulae for (1s|1s), Slater two-center integrals, using the three-center nuclear attraction integral program in spherical coordinates

International Journal of Quantum Chemistry ◽

10.1002/qua.20089 ◽

2004 ◽

Vol 100 (2) ◽

pp. 199-205 ◽

Cited By ~ 3

Author(s):

J. L. Jain ◽

H. W. Jones ◽

C. A. Weatherford ◽

P. E. Hoggan

Keyword(s):

Spherical Coordinates ◽

Nuclear Attraction Integral ◽

Nuclear Attraction

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Evaluation of Multicenter Nuclear Attraction Integrals by the Use of Translation Formula for Slater Type Orbitals

Communications in Theoretical Physics ◽

10.1088/0253-6102/39/6/701 ◽

2003 ◽

Vol 39 (6) ◽

pp. 701-704 ◽

Cited By ~ 6

Author(s):

Sedat Gümüş ◽

Telhat Özdoğan

Keyword(s):

Slater Type Orbitals ◽

Slater Type ◽

Nuclear Attraction

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Performance assessment of density functional methods with Gaussian and Slater basis sets using 7σ orbital momentum distributions of N[sub 2]O

10.1063/1.4771721 ◽

2012 ◽

Cited By ~ 1

Author(s):

Feng Wang ◽

Wenning Pang ◽

Patrick Duffy

Keyword(s):

Performance Assessment ◽

Density Functional ◽

Orbital Momentum ◽

Basis Sets ◽

Density Functional Methods ◽

Functional Methods ◽

Momentum Distributions ◽

Slater Basis

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Calculation of three-center nuclear attraction integral over Slater type orbitals in molecular coordinate system using Löwdin α-radial function and Guseinov’s two-center charge density expansion formulae

Journal of Mathematical Chemistry ◽

10.1007/s10910-009-9577-6 ◽

2009 ◽

Vol 47 (1) ◽

pp. 345-353 ◽

Cited By ~ 3

Author(s):

B. A. Mamedov ◽

E. Çopuroğlu

Keyword(s):

Charge Density ◽

Coordinate System ◽

Radial Function ◽

Slater Type Orbitals ◽

Slater Type ◽

Expansion Formulae ◽

Nuclear Attraction Integral ◽

Molecular Coordinate System ◽

Density Expansion ◽

Nuclear Attraction

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Programs for the evaluation of nuclear attraction integrals with B functions

Computer Physics Communications ◽

10.1016/0010-4655(93)90042-b ◽

1993 ◽

Vol 77 (1) ◽

pp. 135-151 ◽

Cited By ~ 18

Author(s):

H.H.H. Homeier ◽

E.O. Steinborn

Keyword(s):

Nuclear Attraction

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Studies on the “cluster-surface analogy”: metallic slater basis sets for ab initio calculations of chemisorption

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(92)85102-q ◽

1992 ◽

Vol 262 ◽

pp. 105-116 ◽

Cited By ~ 3

Author(s):

N. Wang ◽

X. Xu ◽

Q. Zhang

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Basis Sets ◽

Cluster Surface ◽

Slater Basis

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Basis set construction for molecular electronic structure theory: Natural orbital and Gauss–Slater basis for smooth pseudopotentials

The Journal of Chemical Physics ◽

10.1063/1.3551512 ◽

2011 ◽

Vol 134 (6) ◽

pp. 064104 ◽

Cited By ~ 13

Author(s):

F. R. Petruzielo ◽

Julien Toulouse ◽

C. J. Umrigar

Keyword(s):

Electronic Structure ◽

Electronic Structure Theory ◽

Basis Set ◽

Structure Theory ◽

Natural Orbital ◽

Molecular Electronic ◽

Molecular Electronic Structure ◽

Slater Basis

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Unified analytical treatment of overlap, two-center nuclear attraction, and Coulomb integrals ofBfunctions via the Fourier-transform method

Physical Review A ◽

10.1103/physreva.33.3688 ◽

1986 ◽

Vol 33 (6) ◽

pp. 3688-3705 ◽

Cited By ~ 94

Author(s):

E. Joachim Weniger ◽

Johannes Grotendorst ◽

E. Otto Steinborn

Keyword(s):

Fourier Transform ◽

Analytical Treatment ◽

Transform Method ◽

Fourier Transform Method ◽

The Fourier Transform ◽

Coulomb Integrals ◽

Nuclear Attraction

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