Time-dependent Hartree-Fock calculations of the quadratic polarizability dispersion for molecules with pronounced nonlinear optical properties

M. M. Mestechkin, G. E. Whyman

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

The quadratic huperpolarizability for the second harmonic generation is calculated at the fundamental frequencies 0, 0.656, 0.941, and 1.165 eV for three classes of organic molecules in the framework of the time-dependent Hartree-Fock perturbation theory. The π-electron approximation used reproduces available experimental data quite satisfactory. It is shown that the computation scheme earlier proposed is readily applicable to molecules of real physical interest.

Original languageEnglish
Pages (from-to)92-96
Number of pages5
JournalOptics Communications
Volume95
Issue number1-3
DOIs
StatePublished - 1 Jan 1993
Externally publishedYes

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