An MSSCF study of the electric properties of the Be atom

The polarizability (α), second hyperpolarizability (γ), and the dipole—dipole—quadrupole hyperpolarizability ( B) is calculated by a finite-field procedure for the Be atom using variational RHF and MCSCF methods and nonvariational MBPT (2). The values obtained are compared to previous calculations....

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Bibliographic Details
Published inChemical physics letters Vol. 189; no. 3; pp. 255 - 258
Main Authors Pluta, Tadeusz, Kurtz, Henry A.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 07.02.1992
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Summary:The polarizability (α), second hyperpolarizability (γ), and the dipole—dipole—quadrupole hyperpolarizability ( B) is calculated by a finite-field procedure for the Be atom using variational RHF and MCSCF methods and nonvariational MBPT (2). The values obtained are compared to previous calculations. The main advantage of the MCSCF methods is that it allows the use of the dipole moment expansion instead of the energy expansion. This leads to much more reliable values for γ and B.
ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(92)85135-W