Methods of Electronic Structure Theory
Latest Publications

TOTAL DOCUMENTS

11

(FIVE YEARS 0)

H-INDEX

9

(FIVE YEARS 0)

Published By Springer US

9781475708899, 9781475708875

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Gaussian Basis Sets for Molecular Calculations

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_1 ◽

1977 ◽

pp. 1-27 ◽

Cited By ~ 368

Author(s):

Thom. H. Dunning ◽

P. Jeffrey Hay

Keyword(s):

Basis Sets ◽

Gaussian Basis Sets ◽

Molecular Calculations

Download Full-text

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 ◽

Cited By ~ 145

Author(s):

Frank W. Bobrowicz ◽

William A. Goddard

Keyword(s):

Valence Bond ◽

Open Shell ◽

Wave Functions ◽

The Self ◽

Field Equations ◽

Hartree Fock ◽

Generalized Valence Bond ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

Download Full-text

Configuration Expansion by Means of Pseudonatural Orbitals

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_11 ◽

1977 ◽

pp. 413-446 ◽

Cited By ~ 67

Author(s):

Wilfried Meyer

Download Full-text

The Floating Spherical Gaussian Orbital Method

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_2 ◽

1977 ◽

pp. 29-49 ◽

Cited By ~ 9

Author(s):

Arthur A. Frost

Keyword(s):

Orbital Method ◽

Gaussian Orbital

Download Full-text

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 ◽

Cited By ~ 69

Author(s):

Björn O. Roos ◽

Per E. M. Siegbahn

Keyword(s):

Configuration Interaction ◽

Interaction Method ◽

Configuration Interaction Method ◽

Molecular Integrals

Download Full-text

Pair Correlation Theories

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_5 ◽

1977 ◽

pp. 129-188 ◽

Cited By ~ 78

Author(s):

Werner Kutzelnigg

Keyword(s):

Pair Correlation

Download Full-text

The Method of Configuration Interaction

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_6 ◽

1977 ◽

pp. 189-275 ◽

Cited By ~ 176

Author(s):

Isaiah Shavitt

Keyword(s):

Configuration Interaction

Download Full-text

The Multiconfiguration Self-Consistent Field Method

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_3 ◽

1977 ◽

pp. 51-78 ◽

Cited By ~ 27

Author(s):

Arnold C. Wahl ◽

G. Das

Keyword(s):

Field Method ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

Download Full-text

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 ◽

Cited By ~ 4

Author(s):

Jules W. Moskowitz ◽

Lawrence C. Snyder

Keyword(s):

Computer Program ◽

Ab Initio Calculations ◽

Ab Initio ◽

General Computer Program ◽

General Computer

Download Full-text

A New Method for Determining Configuration Interaction Wave Functions for the Electronic States of Atoms and Molecules: The Vector Method

Methods of Electronic Structure Theory ◽

10.1007/978-1-4757-0887-5_8 ◽

1977 ◽

pp. 319-338 ◽

Cited By ~ 8

Author(s):

R. F. Hausman ◽

C. F. Bender

Keyword(s):

Configuration Interaction ◽

Electronic States ◽

Wave Functions ◽

New Method ◽

Vector Method ◽

Atoms And Molecules

Download Full-text