Accurate static and dynamic polarizabilities of
- 1 September 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 40 (5) , 2265-2269
- https://doi.org/10.1103/physreva.40.2265
Abstract
Using multiconfiguration linear-response theory, accurate predictions are given for the static and dynamic dipole polarizabilities of . Benchmark full configuration-interaction (CI) results are also presented. Virtually exact full CI results are obtained for a very compact wave function keeping 1s doubly occupied and describing the correlated movement of the remaining two electrons with three orbitals: 2s, 3s, and 2p. d functions are found to be crucial for the calculation of the dipole polarizability and for obtaining gauge invariance. The static polarizability is predicted to be 798±5 a.u.
Keywords
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