Fully relativistic complete active space self-consistent field for large molecules: Quasi-second-order minimax optimization

2015 ◽  
Vol 142 (4) ◽  
pp. 044112 ◽  
Author(s):  
Jefferson E. Bates ◽  
Toru Shiozaki
Keyword(s):  
Second Order ◽  
Minimax Optimization ◽  
Complete Active Space ◽  
Large Molecules ◽  
Active Space ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

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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