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Dynamic hyperpolarizabilities in Møller–Plesset perturbation theory

✍ Scribed by Motoyuki Shiga; Fumihiko Aiga; Kotoku Sasagane

Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
279 KB
Volume
71
Category
Article
ISSN
0020-7608

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✦ Synopsis

As a formulation for calculating the dynamic polarizabilities and hyperpolarizabilities, two different types of the time-dependent Møller᎐Plesset Ž . perturbation theory MPPT are presented: the MPPT in the quasienergy derivative Ž . Ž . method QED᎐MPPT and the MPPT in the energylike derivative method ELD᎐MPPT . The explicit expressions for the response properties in each of these MPPT up to the w Ž . Ž . x quadratic response , ␣ y , , ␤ y , , at an arbitrary correlated order are 1 1 1 2

given. Calculations of the dynamic polarizabilities and hyperpolarizabilities dependent Ž . Ž . on one frequency at the second-order MPPT MP2 , in the QED method QED᎐MP2 and Ž . in the ELD method ELD᎐MP2 , are examined for 10-electron systems: hydrogen fluoride and neon.

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