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Title: Ab initio determination of polarizabilities and van der Waals coefficients of Li atoms using the relativistic coupled-cluster method
Authors: Wansbeek, L. W
Sahoo, B. K
Timmermans, R. G. E
Das, B. P
Mukherjee, D
Keywords: Van Der Waals Coefficients Of Lithium;Relativistic Coupled-Cluster Theory;Scalar Dipole;Quadrupole Polarizabilities;Off-Diagonal Dipole
Issue Date: Jul-2008
Publisher: The American Physical Society
Citation: Physical Review A, Vol. 78, No. 1, pp. 012515
Abstract: We report on a technique to determine the van der Waals coefficients of lithium (Li) atoms based on relativistic coupled-cluster theory. These quantities are determined using the imaginary parts of the scalar dipole and quadrupole polarizabilities, which are evaluated using an approach that we have proposed earlier [B. K. Sahoo, Chem. Phys. Lett. 448, 144 (2007)]. Our procedure is fully ab initio, and avoids the sum-over-the-states approach. We present the dipole and quadrupole polarizabilities of many of the low-lying excited states of Li. Also, the off-diagonal dipole and quadrupole polarizabilites between some of the low-lying states of Li have been calculated.
ISSN: 1050-2947
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Appears in Collections:IIAP Publications

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