Is the spin‐orbit coupling important in the prediction of the 51 V hyperfine coupling constants of V IV O 2+ species? ORCA versus Gaussian performance and biological applications

2011 ◽  
Vol 32 (13) ◽  
pp. 2822-2835 ◽  
Author(s):  
Giovanni Micera ◽  
Eugenio Garribba
Keyword(s):  
Hyperfine Coupling ◽  
Coupling Constants ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Biological Applications ◽  
Hyperfine Coupling Constants

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

Calculation of Spin–Orbit Coupling Constants and Other Radial Parameters for the Actinide Ions Using Relativistic Wavefunctions

1970 ◽  
Vol 53 (2) ◽  
pp. 809-820 ◽  
Author(s):  
W. Burton Lewis ◽  
Joseph B. Mann ◽  
David A. Liberman ◽  
Don T. Cromer
Keyword(s):  
Coupling Constants ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Actinide Ions
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