Use of Nuclear Attraction Integral Approximations in Molecular Quantum Mechanics

Roland S. Barker; Henry Eyring

doi:10.1063/1.1740327

Use of Nuclear Attraction Integral Approximations in Molecular Quantum Mechanics

The Journal of Chemical Physics ◽

10.1063/1.1740327 ◽

1954 ◽

Vol 22 (7) ◽

pp. 1182-1188 ◽

Cited By ~ 21

Author(s):

Roland S. Barker ◽

Henry Eyring

Keyword(s):

Quantum Mechanics ◽

Nuclear Attraction Integral ◽

Molecular Quantum Mechanics ◽

Nuclear Attraction

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Computers and molecular quantum mechanics: 1965–2001, a personal perspective

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(01)00539-5 ◽

2001 ◽

Vol 573 (1-3) ◽

pp. 129-137 ◽

Cited By ~ 11

Author(s):

Henry F. Schaefer

Keyword(s):

Quantum Mechanics ◽

Personal Perspective ◽

Molecular Quantum Mechanics

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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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Molecular quantum mechanics: An introduction to quantum chemistry

Journal of Molecular Structure ◽

10.1016/0022-2860(72)80025-5 ◽

1972 ◽

Vol 11 (2) ◽

pp. 322-323

Keyword(s):

Quantum Mechanics ◽

Quantum Chemistry ◽

Molecular Quantum Mechanics

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Molecular Quantum Mechanics, 2nd Edition (Atkins, P. W.)

Journal of Chemical Education ◽

10.1021/ed061pa248.2 ◽

1984 ◽

Vol 61 (9) ◽

pp. A248

Author(s):

Frank L. Pilar

Keyword(s):

Quantum Mechanics ◽

Molecular Quantum Mechanics

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Methods of Molecular Quantum Mechanics

Physics Today ◽

10.1063/1.3022743 ◽

1971 ◽

Vol 24 (5) ◽

pp. 50-50 ◽

Cited By ~ 34

Author(s):

R. McWeeny ◽

B. T. Sutcliffe ◽

G. O. Brink

Keyword(s):

Quantum Mechanics ◽

Molecular Quantum Mechanics

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The Born-Oppenheimer Approximation in Molecular Quantum Mechanics

Mathematical Frontiers in Computational Chemical Physics - The IMA Volumes in Mathematics and Its Applications ◽

10.1007/978-1-4684-6363-7_1 ◽

1988 ◽

pp. 1-17 ◽

Cited By ~ 6

Author(s):

C. Alden Mead

Keyword(s):

Quantum Mechanics ◽

Oppenheimer Approximation ◽

Molecular Quantum Mechanics

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Book Review: Basic Principles and Techniques of Molecular Quantum Mechanics. By R. E. Christoffersen

Angewandte Chemie International Edition in English ◽

10.1002/anie.199115231 ◽

1991 ◽

Vol 30 (11) ◽

pp. 1523-1524

Author(s):

Wolfram Koch

Keyword(s):

Quantum Mechanics ◽

Basic Principles ◽

Molecular Quantum Mechanics

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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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Application of the finite element method to molecular quantum mechanics

Theoretical and Experimental Chemistry ◽

10.1007/bf01372510 ◽

1991 ◽

Vol 27 (4) ◽

pp. 381-385

Author(s):

V. V. Gusev ◽

S. G. Potapov ◽

L. P. Sukhanov

Keyword(s):

Finite Element Method ◽

Finite Element ◽

Quantum Mechanics ◽

The Finite Element Method ◽

Molecular Quantum Mechanics ◽

Element Method

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Second‐Order Perturbation Theory in Atomic and Molecular Quantum Mechanics (Application to the Electric Dipole and Quadrupole Polarizabilities and Shielding Factors of the Beryllium Atom)

The Journal of Chemical Physics ◽

10.1063/1.1725349 ◽

1964 ◽

Vol 40 (6) ◽

pp. 1478-1485 ◽

Cited By ~ 41

Author(s):

Hugh P. Kelly ◽

Howard S. Taylor

Keyword(s):

Perturbation Theory ◽

Quantum Mechanics ◽

Electric Dipole ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Molecular Quantum Mechanics ◽

Second Order Perturbation Theory

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