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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Published in | Chemical physics letters Vol. 189; no. 3; pp. 255 - 258 |
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Main Authors | , |
Format | Journal Article |
Language | English |
Published |
Elsevier B.V
07.02.1992
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Online Access | Get full text |
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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. |
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ISSN: | 0009-2614 1873-4448 |
DOI: | 10.1016/0009-2614(92)85135-W |