Methods of Electronic Structure Theory
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Published By Springer US

9781475708899, 9781475708875

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Gaussian Basis Sets for Molecular Calculations

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_1 ◽

1977 ◽

pp. 1-27 ◽

Author(s):

Thom. H. Dunning ◽

P. Jeffrey Hay

Keyword(s):

Gaussian Basis Sets ◽

Molecular Calculations

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The Self-Consistent Field Equations for Generalized Valence Bond and Open-Shell Hartree—Fock Wave Functions

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_4 ◽

1977 ◽

pp. 79-127 ◽

Author(s):

Frank W. Bobrowicz ◽

William A. Goddard

Keyword(s):

Valence Bond ◽

Wave Functions ◽

The Self ◽

Field Equations ◽

Hartree Fock ◽

Generalized Valence Bond ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Configuration Expansion by Means of Pseudonatural Orbitals

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_11 ◽

1977 ◽

pp. 413-446 ◽

Author(s):

Wilfried Meyer

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The Floating Spherical Gaussian Orbital Method

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_2 ◽

1977 ◽

pp. 29-49 ◽

Author(s):

Arthur A. Frost

Keyword(s):

Orbital Method ◽

Gaussian Orbital

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The Direct Configuration Interaction Method from Molecular Integrals

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_7 ◽

1977 ◽

pp. 277-318 ◽

Author(s):

Björn O. Roos ◽

Per E. M. Siegbahn

Keyword(s):

Configuration Interaction ◽

Interaction Method ◽

Configuration Interaction Method ◽

Molecular Integrals

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The Method of Configuration Interaction

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_6 ◽

1977 ◽

pp. 189-275 ◽

Author(s):

Isaiah Shavitt

Keyword(s):

Configuration Interaction

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The Multiconfiguration Self-Consistent Field Method

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_3 ◽

1977 ◽

pp. 51-78 ◽

Author(s):

Arnold C. Wahl ◽

G. Das

Keyword(s):

Field Method ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Pair Correlation Theories

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_5 ◽

1977 ◽

pp. 129-188 ◽

Author(s):

Werner Kutzelnigg

Keyword(s):

Pair Correlation

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Polyatom: A General Computer Program for Ab Initio Calculations

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_10 ◽

1977 ◽

pp. 387-411 ◽

Author(s):

Jules W. Moskowitz ◽

Lawrence C. Snyder

Keyword(s):

Computer Program ◽

Ab Initio Calculations ◽

Ab Initio ◽

General Computer Program ◽

General Computer

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The Equations of Motion Method: An Approach to the Dynamical Properties of Atoms and Molecules

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_9 ◽

1977 ◽

pp. 339-386 ◽

Author(s):

Clyde W. McCurdy ◽

Thomas N. Rescigno ◽

Danny L. Yeager ◽

Vincent McKoy

Keyword(s):

Equations Of Motion ◽

Atoms And Molecules ◽

Dynamical Properties ◽

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