Dynamic electric dipole polarizabilities of Li (S-2; P-2), and B (P-2) are obtained by a time dependent gauge invariant method, C-6 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 (LiS)-S-2(2s(1))+(BP)-P-2(2p(1)) and (LiP)-P-2(2p(1))+(BP)-P-2(2p(1)) are reported.
机构:
NASA, Ames Res Ctr, Thermal Protect Mat Branch, Mail Stop 230-3, Moffett Field, CA 94035 USANASA, Ames Res Ctr, Thermal Protect Mat Branch, Mail Stop 230-3, Moffett Field, CA 94035 USA
Bauschlicher, Charles W., Jr.
Schwenke, David W.
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机构:
NASA, Ames Res Ctr, Computat Phys Branch, Mail Stop 258-2, Moffett Field, CA 94035 USANASA, Ames Res Ctr, Thermal Protect Mat Branch, Mail Stop 230-3, Moffett Field, CA 94035 USA
机构:
NASA, Ames Res Ctr, Thermal Protect Mat Branch, Mail Stop 230-3, Moffett Field, CA 94035 USANASA, Ames Res Ctr, Thermal Protect Mat Branch, Mail Stop 230-3, Moffett Field, CA 94035 USA
Bauschlicher, Charles W., Jr.
Schwenke, David W.
论文数: 0引用数: 0
h-index: 0
机构:
NASA, Ames Res Ctr, Computat Phys Branch, Mail Stop 258-2, Moffett Field, CA 94035 USANASA, Ames Res Ctr, Thermal Protect Mat Branch, Mail Stop 230-3, Moffett Field, CA 94035 USA