Time-dependent Hartree-Fock theory: finite-field technique for calculation of the Pockels and Kerr effects and generation of harmonics

M. M. Mestechkin; G. E. Whyman

doi:10.1016/0009-2614(93)90073-A

Time-dependent Hartree-Fock theory: finite-field technique for calculation of the Pockels and Kerr effects and generation of harmonics

M. M. Mestechkin, G. E. Whyman

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15 Scopus citations

Abstract

A combined method for calculation of the optical hyperpolarizability dispersion in a static field based on the TDHF approximation and finite-difference technique is proposed and applied to twelve donor-acceptor substituted organic molecules with pronounced nonlinear properties and also to the carbon icosahedral cluster C₆₀.

Original language	English
Pages (from-to)	144-148
Number of pages	5
Journal	Chemical Physics Letters
Volume	214
Issue number	2
DOIs	https://doi.org/10.1016/0009-2614(93)90073-A
State	Published - 29 Oct 1993
Externally published	Yes

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10.1016/0009-2614(93)90073-A

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title = "Time-dependent Hartree-Fock theory: finite-field technique for calculation of the Pockels and Kerr effects and generation of harmonics",

abstract = "A combined method for calculation of the optical hyperpolarizability dispersion in a static field based on the TDHF approximation and finite-difference technique is proposed and applied to twelve donor-acceptor substituted organic molecules with pronounced nonlinear properties and also to the carbon icosahedral cluster C60.",

author = "Mestechkin, \{M. M.\} and Whyman, \{G. E.\}",

year = "1993",

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AU - Whyman, G. E.

PY - 1993/10/29

Y1 - 1993/10/29

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AB - A combined method for calculation of the optical hyperpolarizability dispersion in a static field based on the TDHF approximation and finite-difference technique is proposed and applied to twelve donor-acceptor substituted organic molecules with pronounced nonlinear properties and also to the carbon icosahedral cluster C60.

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Time-dependent Hartree-Fock theory: finite-field technique for calculation of the Pockels and Kerr effects and generation of harmonics

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