Perturbative treatment of spin-orbit-coupling within spin-free exact two-component theory using equation-of-motion coupled-cluster methods

2018 ◽  
Vol 148 (4) ◽  
pp. 044108 ◽  
Author(s):  
Lan Cheng ◽  
Fan Wang ◽  
John F. Stanton ◽  
Jürgen Gauss
Keyword(s):  
Equation Of Motion ◽  
Orbit Coupling ◽  
Coupled Cluster ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupled Cluster Methods ◽  
Component Theory ◽  
Two Component ◽  
Cluster Methods ◽  
Perturbative Treatment

Spin-orbit effects calculated by two-component coupled-cluster methods: test calculations on AuH, Au2, TlH and Tl2

1998 ◽  
Vol 293 (1-2) ◽  
pp. 97-102 ◽  
Author(s):  
Hyo-Sug Lee ◽  
Young-Kyu Han ◽  
Myeong Cheol Kim ◽  
Cheolbeom Bae ◽  
Yoon Sup Lee
Keyword(s):  
Coupled Cluster ◽  
Spin Orbit ◽  
Coupled Cluster Methods ◽  
Two Component ◽  
Cluster Methods
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