Ab initio study of the spectroscopy of AgI: A complete active space self-consistent field+averaged coupled pair functional approach to the lowest excited states

2003 ◽  
Vol 118 (1) ◽  
pp. 104-112 ◽  
Author(s):  
A. Ramı́rez-Solı́s
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Functional Approach ◽  
Ab Initio Study ◽  
Complete Active Space ◽  
Active Space ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Metabolite Predictions for Para-Substituted Anisoles Based on ab Initio Complete Active Space Self-Consistent Field Calculations

1995 ◽  
Vol 8 (3) ◽  
pp. 437-443 ◽  
Author(s):  
Marcel J. de Groot ◽  
Gabrieelle M. Donne-Op den Kelder ◽  
Jan N. M. Commandeur ◽  
Joop H. van Lenthe ◽  
Nico P. E. Vermeulen
Keyword(s):  
Ab Initio ◽  
Complete Active Space ◽  
Active Space ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field
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