Modified Generalized Valence-Bond Method: A Simple Correction for the Electron Correlation Missing in Generalized Valence-Bond Wave Functions; Prediction of Double-Well States forCr2andMo2

Excitation energies from time-dependent generalized valence bond method

Theoretical Chemistry Accounts ◽

10.1007/s00214-015-1718-3 ◽

2015 ◽

Vol 134 (10) ◽

Cited By ~ 6

Author(s):

Koushik Chatterjee ◽

Katarzyna Pernal

Keyword(s):

Valence Bond ◽

Time Dependent ◽

Excitation Energies ◽

Excitation energies from time-dependent generalized valence bond method

Péter R. Surján - Highlights in Theoretical Chemistry ◽

10.1007/978-3-662-49825-5_26 ◽

2015 ◽

pp. 219-227

Author(s):

Koushik Chatterjee ◽

Katarzyna Pernal

Keyword(s):

Valence Bond ◽

Time Dependent ◽

Excitation Energies ◽

Orbital‐based direct inversion in the iterative subspace for the generalized valence bond method

10.1063/1.468912 ◽

1995 ◽

Vol 102 (3) ◽

pp. 1251-1256 ◽

Cited By ~ 9

Author(s):

Irina V. Ionova ◽

Emily A. Carter

Keyword(s):

Valence Bond ◽

Direct Inversion ◽

Optimization of the Generalized Valence Bond Method for Vector Processors

Journal of Computational Chemistry ◽

10.1002/jcc.540070413 ◽

1986 ◽

Vol 7 (4) ◽

pp. 500-512 ◽

Cited By ~ 2

Author(s):

Raymond A. Bair

Keyword(s):

Valence Bond ◽

Vector Processors ◽

Parallel Calculation of Electron-Transfer and Resonance Matrix Elements of Hartree—Fock and Generalized Valence Bond Wave Functions

Parallel Computing in Computational Chemistry - ACS Symposium Series ◽

10.1021/bk-1995-0592.ch007 ◽

1995 ◽

pp. 84-96 ◽

Cited By ~ 3

Author(s):

Erik P. Bierwagen ◽

Terry R. Coley ◽

William A. Goddard

Keyword(s):

Electron Transfer ◽

Valence Bond ◽

Wave Functions ◽

Matrix Elements ◽

Parallel Calculation ◽

Hartree Fock ◽

Generalized Valence Bond

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 ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

A generalized direct inversion in the iterative subspace approach for generalized valence bond wave functions

10.1063/1.466653 ◽

1994 ◽

Vol 100 (2) ◽

pp. 1226-1235 ◽

Cited By ~ 19

Author(s):

Richard P. Muller ◽

Jean‐Marc Langlois ◽

Murco N. Ringnalda ◽

Richard A. Friesner ◽

William A. Goddard

Keyword(s):

Valence Bond ◽

Wave Functions ◽

Direct Inversion ◽

Generalized Valence Bond

Ab initio molecular dynamics with correlated molecular wave functions: Generalized valence bond molecular dynamics and simulated annealing

10.1063/1.463660 ◽

1992 ◽

Vol 97 (9) ◽

pp. 6569-6578 ◽

Cited By ~ 87

Author(s):

Bernd Hartke ◽

Emily A. Carter

Keyword(s):

Molecular Dynamics ◽

Simulated Annealing ◽

Ab Initio ◽

Valence Bond ◽

Wave Functions ◽

Ab Initio Molecular Dynamics ◽

Generalized Valence Bond

Modified Generalized Valence-Bond Method: Prediction of Double-Well States forCr2andMo2

Physical Review Letters ◽

10.1103/physrevlett.55.2090 ◽

1985 ◽

Vol 55 (19) ◽

pp. 2090-2090 ◽

Cited By ~ 4

Author(s):

B. Delley

Keyword(s):

Valence Bond ◽

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

10.1063/1.3085953 ◽

2009 ◽

Vol 130 (10) ◽

pp. 104102 ◽

Cited By ~ 31

Author(s):

Thiago Messias Cardozo ◽

Marco Antonio Chaer Nascimento

Keyword(s):

Valence Bond ◽

Energy Partitioning ◽

Wave Functions ◽

Interference Contribution ◽

Coupled Wave