Valence Bond Configuration Interaction:  A Practical ab Initio Valence Bond Method That Incorporates Dynamic Correlation

Wei Wu; Lingchun Song; Zexing Cao; Qianer Zhang; Sason Shaik

doi:10.1021/jp0141272

Valence Bond Configuration Interaction: A Practical ab Initio Valence Bond Method That Incorporates Dynamic Correlation

The Journal of Physical Chemistry A ◽

10.1021/jp0141272 ◽

2002 ◽

Vol 106 (11) ◽

pp. 2721-2726 ◽

Cited By ~ 56

Author(s):

Wei Wu ◽

Lingchun Song ◽

Zexing Cao ◽

Qianer Zhang ◽

Sason Shaik

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Valence Bond ◽

Dynamic Correlation ◽

Bond Method

Download Full-text

Vinylmethylene and the ring opening of cyclopropene. Ab initio generalized valence bond and configuration interaction studies

Journal of the American Chemical Society ◽

10.1021/ja00429a056 ◽

1976 ◽

Vol 98 (13) ◽

pp. 4015-4017 ◽

Cited By ~ 15

Author(s):

James H. Davis ◽

William A. Goddard ◽

Robert G. Bergman

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Ring Opening ◽

Valence Bond ◽

Generalized Valence Bond ◽

Interaction Studies

Download Full-text

VBCI: A Valence Bond Configuration Interaction Method that Includes Dynamic Correlation

Encyclopedia of Computational Chemistry ◽

10.1002/0470845015.cu0017 ◽

2004 ◽

Author(s):

Wei Wu ◽

Lingchun Song ◽

Qianer Zhang ◽

Sason Shaik

Keyword(s):

Configuration Interaction ◽

Valence Bond ◽

Interaction Method ◽

Configuration Interaction Method ◽

Dynamic Correlation

Download Full-text

ChemInform Abstract: VINYLMETHYLENE AND THE RING OPENING OF CYCLOPROPENE. AB INITIO GENERALIZED VALENCE BOND AND CONFIGURATION INTERACTION STUDIES

Chemischer Informationsdienst ◽

10.1002/chin.197638066 ◽

1976 ◽

Vol 7 (38) ◽

pp. no-no

Author(s):

JAMES H. DAVIS ◽

WILLIAM A. III GODDARD ◽

ROBERT G. BERGMAN

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Ring Opening ◽

Valence Bond ◽

Generalized Valence Bond ◽

Interaction Studies

Download Full-text

A practical valence bond method: A configuration interaction method approach with perturbation theoretic facility

Journal of Computational Chemistry ◽

10.1002/jcc.10382 ◽

2004 ◽

Vol 25 (4) ◽

pp. 472-478 ◽

Cited By ~ 42

Author(s):

Lingchun Song ◽

Wei Wu ◽

Qianer Zhang ◽

Sason Shaik

Keyword(s):

Configuration Interaction ◽

Valence Bond ◽

Interaction Method ◽

Configuration Interaction Method ◽

Method Approach ◽

Bond Method

Download Full-text

A diagrammatic valence bond method for configuration interaction calculations in atoms and molecules

Chemical Physics Letters ◽

10.1016/0009-2614(86)80250-0 ◽

1986 ◽

Vol 130 (6) ◽

pp. 522-525 ◽

Cited By ~ 4

Author(s):

S. Ramasesha

Keyword(s):

Configuration Interaction ◽

Valence Bond ◽

Atoms And Molecules ◽

Configuration Interaction Calculations ◽

Bond Method

Download Full-text

The New Resonating Valence Bond Method for Ab-Initio Electronic Simulations

Many-Electron Approaches in Physics, Chemistry and Mathematics - Mathematical Physics Studies ◽

10.1007/978-3-319-06379-9_21 ◽

2014 ◽

pp. 377-392 ◽

Cited By ~ 2

Author(s):

Sandro Sorella ◽

Andrea Zen

Keyword(s):

Ab Initio ◽

Valence Bond ◽

Resonating Valence Bond ◽

Bond Method

Download Full-text

Breathing-orbital valence bond method - a modern valence bond method that includes dynamic correlation

Theoretical Chemistry Accounts ◽

10.1007/s00214-002-0364-8 ◽

2002 ◽

Vol 108 (5) ◽

pp. 255-272 ◽

Cited By ~ 105

Author(s):

Philippe C. Hiberty ◽

Sason Shaik

Keyword(s):

Valence Bond ◽

Dynamic Correlation ◽

Bond Method

Download Full-text

BOVB - A valence bond method incorporating static and dynamic correlation effects

Theoretical and Computational Chemistry - Valence Bond Theory ◽

10.1016/s1380-7323(02)80008-5 ◽

2002 ◽

pp. 187-225 ◽

Cited By ~ 13

Author(s):

P.C. Hiberty ◽

S. Shaik

Keyword(s):

Valence Bond ◽

Correlation Effects ◽

Dynamic Correlation ◽

Bond Method

Download Full-text

Catalytic chemistry of furan and thiophene. Ab initio calculations, using the spin-coupled valence bond method, of the interaction of furan and thiophene with a positively charged centre

Journal of the Chemical Society Faraday Transactions ◽

10.1039/ft9959100749 ◽

1995 ◽

Vol 91 (4) ◽

pp. 749 ◽

Cited By ~ 2

Author(s):

Philip C. H. Mitchell ◽

Guido M. Raos ◽

Peter B. Karadakov ◽

Joseph Gerratt ◽

David L. Cooper

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Valence Bond ◽

Catalytic Chemistry ◽

Positively Charged ◽

Bond Method

Download Full-text

The orthogonal valence bond interpretation of ab initio chemisorption cluster model wavefunctions

Chemical Physics ◽

10.1016/0301-0104(93)80176-a ◽

1993 ◽

Vol 177 (1) ◽

pp. 61-67 ◽

Cited By ~ 11

Author(s):

A. Clotet ◽

J.M. Ricart ◽

J. Rubio ◽

F. Illas

Keyword(s):

Ab Initio ◽

Cluster Model ◽

Valence Bond

Download Full-text