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The static polarizabilities and hyperpolarizabilities of Li2

Μάνθος Γ. Παπαδόπουλος, Andrew Willetts, Nicholas C. Handy, A. D. Buckingham

Open publisher page 14 citations

Abstract

The electronic contribution to the components of the static polarizability and second hyperpolarizability of Li2 is studied using SCF, MP2 and MP4[SDTQ] theories with several large basis sets. The computed polarizability is within the experimental error limits. The static vibrational contributions to these properties are also determined. The nuclear motion has a considerable effect on the second hyperpolarizability but not on the polarizability.

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What this paper is about

The electronic contribution to the components of the static polarizability and second hyperpolarizability of Li2 is studied using SCF, MP2 and MP4[SDTQ] theories with several large basis sets. The computed polarizability is within the experimental error limits. The static vibrational contributions to these properties are also determined. The nuclear motion has a considerable effect on the second hyperpolarizability but not on the polarizability.

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OpenAlex reports 14 citations for this work. Citation counts describe recorded attention and do not establish research quality.

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Available abstract

The electronic contribution to the components of the static polarizability and second hyperpolarizability of Li2 is studied using SCF, MP2 and MP4[SDTQ] theories with several large basis sets. The computed polarizability is within the experimental error limits. The static vibrational contributions to these properties are also determined. The nuclear motion has a considerable effect on the second hyperpolarizability but not on the polarizability.

Key concepts: Hyperpolarizability, Polarizability, Chemistry, Computational chemistry, Atomic physics, Molecular physics, Physics, Molecule

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