Internuclear dependence of static polarisability in hydrogen halides
- 14 September 1979
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 12 (17) , 2789-2795
- https://doi.org/10.1088/0022-3700/12/17/009
Abstract
Ab initio calculations of dipole polarisabilities are performed for HF, HCl and HBr molecules at various molecular geometries and within the SCF treatment of the finite-field method. It is found that the increased values of polarisability gradients in going from HF to HBr can easily compensate for the corresponding decrease of permanent dipoles along the same series.Keywords
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