Electronic Transition Dipole Moments in Relativistic Coupled-Cluster Theory: the Finite-Field Method

2018 ◽  
Vol 124 (4) ◽  
pp. 451-456 ◽  
Author(s):  
A. V. Zaitsevskii ◽  
L. V. Skripnikov ◽  
A. V. Kudrin ◽  
A. V. Oleinichenko ◽  
E. Eliav ◽  
...  
Keyword(s):  
Finite Field ◽  
Electronic Transition ◽  
Dipole Moments ◽  
Field Method ◽  
Coupled Cluster ◽  
Transition Dipole ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
Transition Dipole Moments ◽  
Finite Field Method

Long-range behavior of the transition dipole moments of heteronuclear dimers XY (X, Y = Li, Na, K, Rb) based on ab initio calculations

2018 ◽  
Vol 20 (3) ◽  
pp. 1889-1896 ◽  
Author(s):  
E. A. Bormotova ◽  
S. V. Kozlov ◽  
E. A. Pazyuk ◽  
A. V. Stolyarov
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Excited States ◽  
Long Range ◽  
Internuclear Distance ◽  
Electronic Transition ◽  
Dipole Moments ◽  
Transition Dipole ◽  
Transition Dipole Moments

The electronic transition dipole moments between the ground and excited states converging to the lowest three dissociation limits of heteronuclear dimers XY (X, Y = Li, Na, K, Rb) were ab initio calculated and asymptotically analyzed at large internuclear distance.

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