Theoretica chimica acta

, Volume 53, Issue 2, pp 121–128 | Cite as

Application of second-order SCF perturbation theory to the calculation of mixed-frequency hyperpolarizabilities from time-dependent Hartree-Fock theory

  • David P. Santry
  • Thomas E. Raidy
Original Investigations

Abstract

Second-order SCF perturbation theory is used to solve the TDHF equations of Dalgarno and Victor through the introduction of frequency dependent density matrices. Exploratory calculations are reported for the frequency dependent polarizability and hyper-polarizability of LiH.

Key words

Frequency dependent polarizabilities 

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Copyright information

© Springer-Verlag 1979

Authors and Affiliations

  • David P. Santry
    • 1
  • Thomas E. Raidy
    • 1
  1. 1.Department of ChemistryMcMaster UniversityHamiltonCanada

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