Internuclear dependence of static polarisability in hydrogen halides
F A Gianturco; U T Lamanna; F A Gianturco; Istituto di Chimica Fisica, Univ. di Bari, Bari, Italy; U T Lamanna; Istituto di Chimica Fisica, Univ. di Bari, Bari, Italy
Журнал:
Journal of Physics B: Atomic and Molecular Physics
Дата:
1979-09-14
Аннотация:
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.
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