Higher Hartree-Fock frequency-dependent hyperpolarizabilities

M. M. Mestechkin; G. E. Whyman

doi:10.1016/0009-2614(92)85648-T

Higher Hartree-Fock frequency-dependent hyperpolarizabilities

M. M. Mestechkin
, G. E. Whyman

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

The Dalgarno theorem is generalized in the Hartree-Fock approximation for dynamic hyperpolarizabilities and applied for calculations of the hyperpolarizability describing the fourth harmonic generation and of the benzene second hyperpolarizability. A possible reason for the negative value of the latter obtained in CNDO calculations is discussed.

Original language	English
Pages (from-to)	395-398
Number of pages	4
Journal	Chemical Physics Letters
Volume	193
Issue number	5
DOIs	https://doi.org/10.1016/0009-2614(92)85648-T
State	Published - 5 Jun 1992
Externally published	Yes

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title = "Higher Hartree-Fock frequency-dependent hyperpolarizabilities",

abstract = "The Dalgarno theorem is generalized in the Hartree-Fock approximation for dynamic hyperpolarizabilities and applied for calculations of the hyperpolarizability describing the fourth harmonic generation and of the benzene second hyperpolarizability. A possible reason for the negative value of the latter obtained in CNDO calculations is discussed.",

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

year = "1992",

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AU - Mestechkin, M. M.

AU - Whyman, G. E.

PY - 1992/6/5

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N2 - The Dalgarno theorem is generalized in the Hartree-Fock approximation for dynamic hyperpolarizabilities and applied for calculations of the hyperpolarizability describing the fourth harmonic generation and of the benzene second hyperpolarizability. A possible reason for the negative value of the latter obtained in CNDO calculations is discussed.

AB - The Dalgarno theorem is generalized in the Hartree-Fock approximation for dynamic hyperpolarizabilities and applied for calculations of the hyperpolarizability describing the fourth harmonic generation and of the benzene second hyperpolarizability. A possible reason for the negative value of the latter obtained in CNDO calculations is discussed.

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U2 - 10.1016/0009-2614(92)85648-T

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VL - 193

SP - 395

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 5

ER -

Higher Hartree-Fock frequency-dependent hyperpolarizabilities

Abstract

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