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Correlated frequency-dependent polarizabilities and dispersion coefficients in the time-dependent second-order Møller-Plesset approximation

✍ Scribed by Christof Hättig; Bernd Artur Heβ

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
760 KB
Volume
233
Category
Article
ISSN
0009-2614

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✦ Synopsis

A new method for the calculation of correlated frequency-dependent polarizabilities by the use of time-dependent second-order Moller-Plesset perturbation theory is presented. Within this method the dynamic polarizabilities are defined as second derivatives of the MP2 energy with respect to the strengths of two oscillating external fields. This definition assures the symmetry of mixed polarizabilities and leads to the same second-order pole structure as the diagrammatic double-perturbation MBPT methods. As a derivative method this approach becomes equivalent to finite field MP2 calculations in the static limit. We report applications to helium and neon.

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