Title of article :
Long-range coefficients for the low-lying electronic states of LiB
Author/Authors :
Pouchan، نويسنده , , Claude and Rérat، نويسنده , , Michel، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1996
Abstract :
Dynamic electric dipole polarizabilities of Li (2S; 2P) and B (2P) are obtained by a time dependent gauge invariant method. C6 coefficients are deduced from the fit of sum-over-states functions to the dynamic polarizabilities at imaginary frequencies, in taking the first oscillator strength and transition energy values calculated at the configuration interaction level as starting points. The dispersion coefficients for the low-lying electronic states of LiB that dissociate into Li 2S(2s1)+ B 2P(2p1) and Li2 P(2p1) + B2 P(2p1) are reported.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters