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Second-order electric properties of the X 1Σ+ state of AlH

✍ Scribed by Geerd H.F. Diercksen; Andrzej J. Sadlej

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
477 KB
Volume
141
Category
Article
ISSN
0009-2614

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✦ Synopsis

The dipole and quadntpole polarlzabilities of AlH are calculated with a large and property-adapted basis set of Gaussian functions by using the fourth-order MBPT approach. The results obtained at the experimental equilibrium value of the AlH bond distance,R,=3.114au, are ((u,),=43.86 au, ((r,,),=49.13 au, (C,,,,),= 149.6au, (Cz,,).=246.9au, and (C,,,,).=209,6au. The electron correlation contribution is found in all cases to be negative.

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