Tractable spin-pure methods for bond breaking: Local many-electron spin-vector sets and an approximate valence bond model

2009 ◽  
Vol 130 (8) ◽  
pp. 084103 ◽  
Author(s):  
David W. Small ◽  
Martin Head-Gordon
Keyword(s):  
Electron Spin ◽  
Valence Bond ◽  
Bond Breaking ◽  
Spin Vector ◽  
Bond Model

A Valence Bond Model to Evaluate Electronic Parameters for Charge Transport in Organic Aggregates

2007 ◽  
Author(s):  
Philippe Aurel ◽  
Alain Fritsch ◽  
Laurent Ducasse ◽  
Mathieu Linares ◽  
Jéro^me Cornil ◽  
...  
Keyword(s):  
Charge Transport ◽  
Valence Bond ◽  
Bond Model ◽  
Electronic Parameters
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