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arXiv · 0804.2410

Ab initio determination of polarizabilities and van der Waals coefficients of Li atoms using the relativistic CCSD(T) method

L. W. Wansbeek·B. K. Sahoo·R. G. E. Timmermans·B. P. Das·D. Mukherjee
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Abstract

We report a new technique to determine the van der Waals coeffcients of lithium (Li) atoms based on the relativistic coupled-cluster theory. These quantities are determined using the imaginary parts of the scalar dipole and quadrupole polarizabilities, which are evaluated using the approach that we have proposed in [1]. Our procedure is fully ab initio, and avoids the sum-over-the-states method. 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 are calculated.

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L. W. Wansbeek, B. K. Sahoo, R. G. E. Timmermans, B. P. Das, D. Mukherjee. 2008-04-15. Ab initio determination of polarizabilities and van der Waals coefficients of Li atoms using the relativistic CCSD(T) method. https://doi.org/10.1103/physreva.78.012515

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