A new self‐consistent‐field valence bond method. I. Method for conjugated systems

The Journal of Chemical Physics ◽

10.1063/1.441025 ◽

1981 ◽

Vol 74 (11) ◽

pp. 6342-6348 ◽

Author(s):

Satoru Kuwajima

Keyword(s):

Valence Bond ◽

Conjugated Systems ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

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ChemInform Abstract: A NEW SELF-CONSISTENT-FIELD VALENCE BOND METHOD. I. METHOD FOR CONJUGATED SYSTEMS

Chemischer Informationsdienst ◽

10.1002/chin.198137068 ◽

1981 ◽

Vol 12 (37) ◽

Author(s):

S. KUWAJIMA

Keyword(s):

Valence Bond ◽

Conjugated Systems ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

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A new self‐consistent‐field valence bond method. II. The effective spin Hamiltonian

The Journal of Chemical Physics ◽

10.1063/1.444046 ◽

1982 ◽

Vol 77 (4) ◽

pp. 1930-1937 ◽

Author(s):

Satoru Kuwajima

Keyword(s):

Valence Bond ◽

Spin Hamiltonian ◽

Effective Spin ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

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Nonorthogonal orbital based n-body reduced density matrices and their applications to valence bond theory. III. Second-order perturbation theory using valence bond self-consistent field function as reference

The Journal of Chemical Physics ◽

10.1063/1.4896534 ◽

2014 ◽

Vol 141 (13) ◽

pp. 134118 ◽

Author(s):

Zhenhua Chen ◽

Xun Chen ◽

Fuming Ying ◽

Junjing Gu ◽

Huaiyu Zhang ◽

...

Keyword(s):

Valence Bond ◽

Density Matrices ◽

Field Function ◽

Valence Bond Theory ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Bond Theory ◽

Reduced Density ◽

Second Order Perturbation Theory

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An algorithm for self-consistent field MO LCAO computations on conjugated systems with allowance for configuration interaction

Theoretical and Experimental Chemistry ◽

10.1007/bf01111983 ◽

1968 ◽

Vol 2 (5) ◽

pp. 440-444

Author(s):

G. I. Kagan ◽

I. N. Fundyler ◽

G. M. Kagan

Keyword(s):

Configuration Interaction ◽

Conjugated Systems ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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An efficient algorithm for complete active space valence bond self-consistent field calculation

Journal of Computational Chemistry ◽

10.1002/jcc.23103 ◽

2012 ◽

Vol 34 (1) ◽

pp. 38-48 ◽

Author(s):

Jinshuai Song ◽

Zhenhua Chen ◽

Sason Shaik ◽

Wei Wu

Keyword(s):

Efficient Algorithm ◽

Valence Bond ◽

Field Calculation ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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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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Optimization of both resonance structures of the glyoxal radical cation by means of the Valence Bond Self-Consistent Field method

Theoretica Chimica Acta ◽

10.1007/bf01129118 ◽

1993 ◽

Vol 85 (4) ◽

pp. 285-303 ◽

Author(s):

J. H. Langenberg ◽

P. J. A. Ruttink

Keyword(s):

Radical Cation ◽

Valence Bond ◽

Field Method ◽

Resonance Structures ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Valence Bond Self-consistent Field (VBSCF)

Encyclopedia of Computational Chemistry ◽

10.1002/0470845015.cvd000m ◽

2002 ◽

Keyword(s):

Valence Bond ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Self-consistent field intermolecular orbital theory of the interaction between conjugated systems

Molecular Physics ◽

10.1080/00268977000100251 ◽

1970 ◽

Vol 18 (2) ◽

pp. 233-247 ◽

Author(s):

Alain Devaquet

Keyword(s):

Orbital Theory ◽

Conjugated Systems ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Parametrization of a Heitler–London valence bond Hamiltonian from complete‐active‐space self‐consistent‐field computations: An application to chemical reactivity

The Journal of Chemical Physics ◽

10.1063/1.455404 ◽

1988 ◽

Vol 89 (10) ◽

pp. 6365-6375 ◽

Author(s):

Fernando Bernardi ◽

Massimo Olivucci ◽

Joseph J. W. McDouall ◽

Michael A. Robb

Keyword(s):

Chemical Reactivity ◽

Valence Bond ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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