ETO Multicenter Molecular Integrals
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Published By Springer Netherlands

9789400979239, 9789400979215

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Dispersion Energy from Atomic form Factors

ETO Multicenter Molecular Integrals ◽

10.1007/978-94-009-7921-5_17 ◽

1982 ◽

pp. 177-180

Author(s):

Ker-Fong Lee

Keyword(s):

Form Factors ◽

Dispersion Energy

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A Numerical Study on the Choice of Basis Sets Used for Translating ETOs in Multi-Center LCAO Calculations

ETO Multicenter Molecular Integrals ◽

10.1007/978-94-009-7921-5_12 ◽

1982 ◽

pp. 129-133

Author(s):

B. L. Jain

Keyword(s):

Numerical Study ◽

Basis Sets

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Spherical-Harmonic Expansion Techniques for Multicenter Integrals over STO’s. A Re-Examination for Vector Processing Computers

ETO Multicenter Molecular Integrals ◽

10.1007/978-94-009-7921-5_10 ◽

1982 ◽

pp. 103-121

Author(s):

H. H. Michels

Keyword(s):

Spherical Harmonic ◽

Spherical Harmonic Expansion ◽

Multicenter Integrals ◽

Vector Processing

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Introduction

ETO Multicenter Molecular Integrals ◽

10.1007/978-94-009-7921-5_1 ◽

1982 ◽

pp. 1-1 ◽

Cited By ~ 1

Author(s):

Charles A. Weatherford ◽

Herbert W. Jones

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Translation of Angular Momentum Eigenfunctions Using Numerical Spherical Bessel Transforms

ETO Multicenter Molecular Integrals ◽

10.1007/978-94-009-7921-5_9 ◽

1982 ◽

pp. 91-101

Author(s):

James D. Talman

Keyword(s):

Angular Momentum ◽

Bessel Transforms

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Multi-Center Integrals from the General Expansion Formula Developed Previously for Slater Orbitals

ETO Multicenter Molecular Integrals ◽

10.1007/978-94-009-7921-5_5 ◽

1982 ◽

pp. 35-51

Author(s):

R. R. Sharma

Keyword(s):

Expansion Formula ◽

Slater Orbitals ◽

General Expansion

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Experience Using Spherical Harmonic Expansions to Evaluate Molecular Integrals

ETO Multicenter Molecular Integrals ◽

10.1007/978-94-009-7921-5_2 ◽

1982 ◽

pp. 3-6 ◽

Cited By ~ 1

Author(s):

Russell M. Pitzer

Keyword(s):

Spherical Harmonic ◽

Molecular Integrals

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Distribution of Matrix Elements for Wavefunction Computations of Large Molecular Systems

ETO Multicenter Molecular Integrals ◽

10.1007/978-94-009-7921-5_15 ◽

1982 ◽

pp. 157-169

Author(s):

Peter Habitz ◽

Enrico Clementi

Keyword(s):

Matrix Elements ◽

Molecular Systems

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Auxiliary Functions for STO Molecular Integrals: Si, Ci and Ei

ETO Multicenter Molecular Integrals ◽

10.1007/978-94-009-7921-5_13 ◽

1982 ◽

pp. 135-140

Author(s):

Frank E. Harris

Keyword(s):

Auxiliary Functions ◽

Molecular Integrals ◽

Sto Molecular Integrals

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One-Center Electron Repulsion Integrals for Slater and Gaussian Orbitals

ETO Multicenter Molecular Integrals ◽

10.1007/978-94-009-7921-5_11 ◽

1982 ◽

pp. 123-127 ◽

Cited By ~ 1

Author(s):

Russell M. Pitzer

Keyword(s):

Electron Repulsion ◽

Electron Repulsion Integrals ◽

Gaussian Orbitals

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