A linear-scaling self-consistent generalization of the multistate empirical valence bond method for multiple excess protons in aqueous systems

2005 ◽  
Vol 122 (14) ◽  
pp. 144105 ◽  
Author(s):  
Feng Wang ◽  
Gregory A. Voth
Keyword(s):  
Valence Bond ◽  
Linear Scaling ◽  
Aqueous Systems ◽  
Empirical Valence Bond ◽  
Self Consistent ◽  
Bond Method

A second generation multistate empirical valence bond model for proton transport in aqueous systems

2002 ◽  
Vol 117 (12) ◽  
pp. 5839-5849 ◽  
Author(s):  
Tyler J. F. Day ◽  
Alexander V. Soudackov ◽  
Martin Čuma ◽  
Udo W. Schmitt ◽  
Gregory A. Voth
Keyword(s):  
Proton Transport ◽  
Second Generation ◽  
Valence Bond ◽  
Aqueous Systems ◽  
Empirical Valence Bond ◽  
Bond Model

Generalized self-consistent valence bond method for ground and excited potential energy surfaces

1980 ◽  
Vol 41 (6) ◽  
pp. 1259-1279 ◽  
Author(s):  
Carlo Gatti ◽  
Stefano Polezzo ◽  
Mario Raimondi ◽  
Massimo Simonetta
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Valence Bond ◽  
Self Consistent ◽  
Energy Surfaces ◽  
Bond Method
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