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

פרסום מחקרי: פרסום בכתב עת › מאמר › ביקורת עמיתים

13 ציטוטים ‏(Scopus)

תקציר

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.

שפה מקורית	אנגלית
עמודים (מ-עד)	395-398
מספר עמודים	4
כתב עת	Chemical Physics Letters
כרך	193
מספר גיליון	5
מזהי עצם דיגיטלי (DOIs)	https://doi.org/10.1016/0009-2614(92)85648-T
סטטוס פרסום	פורסם - 5 יוני 1992
פורסם באופן חיצוני	כן

גישה למסמך

10.1016/0009-2614(92)85648-T

קבצים וקישורים אחרים

Link to publication in Scopus

פורמט ציטוט ביבליוגרפי

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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 - Whyman, G. E.

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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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Higher Hartree-Fock frequency-dependent hyperpolarizabilities

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