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

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

2008-04-15

arxiv.org/abs/0804.2410v1

Physics

Atomic Physics

8 pages, 4 figures

Scientific paper

10.1103/PhysRevA.78.012515

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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