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

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.

arXiv comment8 pages, 4 figures

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Cited by in corpus (7)

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• Non-relativistic ab initio calculations for $2^{2}S$, $2^{2}P$ and $3^{2}D$ lithium isotopes: Applications to polarizabilities and dispersion interactions
• Dynamic polarizabilities for the low lying states of Ca+
• Relativistic calculations of quasi-one-electron atoms and ions using Laguerre and Slater spinors
• Van der Waals Coefficients for the Alkali-metal Atoms in the Material Mediums
• RCCPAC: A parallel relativistic coupled-cluster program for closed-shell and one-valence atoms and ions in FORTRAN
• Ab initio Calculations of Electric Dipole Polarizabilities in the Li, Na and K Atoms