The Kramers’ restricted complete active space self-consistent-field method for two-component molecular spinors and relativistic effective core potentials including spin–orbit interactions

2003 ◽  
Vol 119 (23) ◽  
pp. 12169-12178 ◽  
Author(s):  
Yong Seok Kim ◽  
Yoon Sup Lee
Keyword(s):  
Field Method ◽  
Spin Orbit ◽  
Complete Active Space ◽  
Active Space ◽  
Consistent Field ◽  
Two Component ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Spin Orbit Interactions ◽  
Effective Core Potentials

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

Variational Relativistic Two-Component Complete-Active-Space Self-Consistent Field Method

2019 ◽  
Vol 15 (5) ◽  
pp. 2974-2982 ◽  
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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