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

Access to Document

10.1016/0009-2614(92)85648-T

Cite this

@article{658c10f1a02c48bc9c24abbdcec46ad4,

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",

month = jun,

day = "5",

doi = "10.1016/0009-2614(92)85648-T",

language = "אנגלית",

volume = "193",

pages = "395--398",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "5",

}

TY - JOUR

T1 - Higher Hartree-Fock frequency-dependent hyperpolarizabilities

AU - Mestechkin, M. M.

AU - Whyman, G. E.

PY - 1992/6/5

Y1 - 1992/6/5

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.

UR - http://www.scopus.com/inward/record.url?scp=0000778988&partnerID=8YFLogxK

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

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

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:0000778988

SN - 0009-2614

VL - 193

SP - 395

EP - 398

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 5

ER -

Higher Hartree-Fock frequency-dependent hyperpolarizabilities

Abstract

Access to Document

Other files and links

Fingerprint

Cite this