Spin-orbit coupling constants from coupled-cluster response theory

2000 ◽  
Vol 2 (5) ◽  
pp. 965-971 ◽  
Author(s):  
Ove Christiansen ◽  
Jürgen Gauss ◽  
Bernd Schimmelpfennig
Keyword(s):  
Coupling Constants ◽  
Orbit Coupling ◽  
Coupled Cluster ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Response Theory

Coupled-cluster method for open-shell heavy-element systems with spin-orbit coupling

2017 ◽  
Vol 146 (13) ◽  
pp. 134108 ◽  
Author(s):  
Zhanli Cao ◽  
Fan Wang ◽  
Mingli Yang
Keyword(s):  
Heavy Element ◽  
Open Shell ◽  
Orbit Coupling ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupled Cluster Method

Equation-of-motion coupled-cluster method for ionized states with spin-orbit coupling

2012 ◽  
Vol 136 (17) ◽  
pp. 174102 ◽  
Author(s):  
Zheyan Tu ◽  
Fan Wang ◽  
Xiangyuan Li
Keyword(s):  
Equation Of Motion ◽  
Orbit Coupling ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupled Cluster Method

Spin–orbit coupling constants for the 2E states of CH3O and CH3F+

1982 ◽  
Vol 76 (5) ◽  
pp. 2765-2766 ◽  
Author(s):  
David L. Cooper
Keyword(s):  
Coupling Constants ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit

scholarly journals Theoretical study of spin-orbit coupling constants for O2+ (A 2Π3/2,1/2u, v+=0–17 and a 4Π5/2,3/2,1/2,−1/2u, v+=0–25)

2001 ◽  
Vol 115 (16) ◽  
pp. 7393-7400 ◽  
Author(s):  
D. G. Fedorov ◽  
M. S. Gordon ◽  
Y. Song ◽  
C. Y. Ng
Keyword(s):  
Theoretical Study ◽  
Coupling Constants ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit

Spin–Orbit Coupling Constants in Atoms and Ions of Transition Elements: Comparison of Effective Core Potentials, Model Core Potentials, and All-Electron Methods

2019 ◽  
Vol 123 (12) ◽  
pp. 2325-2339 ◽  
Author(s):  
Shiro Koseki ◽  
Nikita Matsunaga ◽  
Toshio Asada ◽  
Michael W. Schmidt ◽  
Mark S. Gordon
Keyword(s):  
Coupling Constants ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Transition Elements ◽  
Model Core Potentials ◽  
Effective Core Potentials

Non-empirical calculation of spin-orbit coupling constants for some linear triatomic molecules

1973 ◽  
Vol 25 (2) ◽  
pp. 483-488 ◽  
Author(s):  
J.A. Horsley ◽  
J.A. Hall
Keyword(s):  
Coupling Constants ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Triatomic Molecules
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