4.6 Article

Nonrelativistic ab initio calculations for 2 S-2, 2 P-2, and 3 D-2 lithium isotopes: Applications to polarizabilities and dispersion interactions

Journal

PHYSICAL REVIEW A
Volume 79, Issue 6, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.79.062712

Keywords

ab initio calculations; excited states; ground states; lithium; polarisability; wave functions

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The electric dipole polarizabilities and hyperpolarizabilities for the lithium isotopes Li-6 and Li-7 in the ground state 2 S-2 and the excited states 2 P-2 and 3 D-2, as well as the leading resonance and dispersion long-range coefficients for the Li(2 S-2)-Li(2 S-2) and Li(2 S-2)-Li(2 P-2) systems, are calculated nonrelativistically using variational wave functions in Hylleraas basis sets. Comparisons are made with published results, where available. We find that the value of the second hyperpolarizability of the 2 S-2 state is sensitive to the isotopic mass due to a near cancellation between two terms. For the 3 D-2 state polarizability tensor, the calculated components disagree with those measured in the sole experiment and with those calculated semiempirically.

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