Symmetry breaking in the NO2 σ radical: Construction of the 2A1 and 2B2 states with Cs symmetry complete active space self‐consistent‐field wave functions

1990 ◽  
Vol 93 (11) ◽  
pp. 8105-8109 ◽  
Author(s):  
Charles P. Blahous ◽  
Brian F. Yates ◽  
Yaoming Xie ◽  
Henry F. Schaefer
Keyword(s):  
Symmetry Breaking ◽  
Wave Functions ◽  
Complete Active Space ◽  
Active Space ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Radical Construction ◽  
Field Wave

scholarly journals Correction to “Variational Relativistic Two-Component Complete-Active-Space Self-Consistent Field Method”

2020 ◽  
Vol 16 (5) ◽  
pp. 3445-3445
Author(s):  
Andrew J. Jenkins ◽  
Hongbin Liu ◽  
Joseph M. Kasper ◽  
Michael J. Frisch ◽  
Xiaosong Li
Keyword(s):  
Field Method ◽  
Complete Active Space ◽  
Active Space ◽  
Consistent Field ◽  
Two Component ◽  
Self Consistent ◽  
Self Consistent Field
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