General Theory of Spin-Coupled Wave Functions for Atoms and Molecules

Advances in Atomic and Molecular Physics - Advances in Atomic and Molecular Physics Volume 7 ◽

10.1016/s0065-2199(08)60360-7 ◽

1971 ◽

pp. 141-221 ◽

Author(s):

J. Gerratt

Keyword(s):

General Theory ◽

Wave Functions ◽

Atoms And Molecules ◽

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SPIN-COUPLED WAVE FUNCTIONS FOR ATOMS AND MOLECULES

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.59.2.332 ◽

1968 ◽

Vol 59 (2) ◽

pp. 332-335 ◽

Author(s):

J. Gerratt ◽

W. N. Lipscomb

Keyword(s):

Wave Functions ◽

Atoms And Molecules ◽

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Spin-coupled wave functions for atoms and molecules

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1999)74:2<83::aid-qua4>3.0.co;2-t ◽

1999 ◽

Vol 74 (2) ◽

pp. 83-85 ◽

Author(s):

J. Gerratt ◽

W. N. Lipscomb

Keyword(s):

Wave Functions ◽

Atoms And Molecules ◽

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Combining multideterminantal wave functions with density functionals to handle near-degeneracy in atoms and molecules

The Journal of Chemical Physics ◽

10.1063/1.1430739 ◽

2002 ◽

Vol 116 (4) ◽

pp. 1250-1258 ◽

Author(s):

R. Pollet ◽

A. Savin ◽

T. Leininger ◽

H. Stoll

Keyword(s):

Wave Functions ◽

Density Functionals ◽

Atoms And Molecules ◽

Near Degeneracy

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A simple way to test for collinearity in spin symmetry broken wave functions: General theory and application to generalized Hartree Fock

The Journal of Chemical Physics ◽

10.1063/1.4913740 ◽

2015 ◽

Vol 142 (9) ◽

pp. 094112 ◽

Author(s):

David W. Small ◽

Eric J. Sundstrom ◽

Martin Head-Gordon

Keyword(s):

General Theory ◽

Spin Symmetry ◽

Wave Functions ◽

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On the theory of electron correlation in atoms and molecules: Relation between cluster expansion theory and the correlated wave functions method

International Journal of Quantum Chemistry ◽

10.1002/qua.560050202 ◽

1971 ◽

Vol 5 (2) ◽

pp. 119-130 ◽

Author(s):

Keith R. Roby

Keyword(s):

Cluster Expansion ◽

Electron Correlation ◽

Wave Functions ◽

Atoms And Molecules ◽

Expansion Theory

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Intermediate coupled wave functions of R3+ in LiRP4O12 (R = Pr or Tm)

Journal of Luminescence ◽

10.1016/0022-2313(90)90059-k ◽

1990 ◽

Vol 47 (1-2) ◽

pp. 59-64 ◽

Author(s):

B.M. Anghelov

Keyword(s):

Wave Functions ◽

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The calculation of molecular response properties using perturbed spin‐coupled wave functions. I. Basic theory

The Journal of Chemical Physics ◽

10.1063/1.466271 ◽

1994 ◽

Vol 100 (6) ◽

pp. 4408-4416 ◽

Author(s):

Peter A. Hyams ◽

Joseph Gerratt ◽

David L. Cooper ◽

Mario Raimondi

Keyword(s):

Wave Functions ◽

Basic Theory ◽

Molecular Response ◽

Response Properties ◽

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Generalized Antisymmetrized Product Wave Functions for Atoms and Molecules

The Journal of Chemical Physics ◽

10.1063/1.1742692 ◽

1956 ◽

Vol 24 (5) ◽

pp. 1106-1106 ◽

Author(s):

Robert G. Parr ◽

Frank O. Ellison ◽

Peter G. Lykos

Keyword(s):

Wave Functions ◽

Atoms And Molecules ◽

Antisymmetrized Product

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The calculation of molecular response properties using perturbed spin‐coupled wave functions. II. Polarizability and magnetic susceptibility of H2 and LiH as functions of internuclear distance

The Journal of Chemical Physics ◽

10.1063/1.466272 ◽

1994 ◽

Vol 100 (6) ◽

pp. 4417-4431 ◽

Author(s):

Peter A. Hyams ◽

Joseph Gerratt ◽

David L. Cooper ◽

Mario Raimondi

Keyword(s):

Magnetic Susceptibility ◽

Internuclear Distance ◽

Wave Functions ◽

Molecular Response ◽

Response Properties ◽

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Energy partitioning for generalized product functions: The interference contribution to the energy of generalized valence bond and spin coupled wave functions

The Journal of Chemical Physics ◽

10.1063/1.3085953 ◽

2009 ◽

Vol 130 (10) ◽

pp. 104102 ◽

Author(s):

Thiago Messias Cardozo ◽

Marco Antonio Chaer Nascimento

Keyword(s):

Valence Bond ◽

Energy Partitioning ◽

Wave Functions ◽

Generalized Valence Bond ◽

Interference Contribution ◽

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