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The C6 coefficients for NeHF. Improved polarizabilities and dispersion coefficients by a simple level-shifting technique

✍ Scribed by G.A. Gallup; J. Gerratt

Publisher: Elsevier Science
Year: 1984
Tongue: English
Weight: 403 KB
Volume: 112
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(84)80539-4

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✦ Synopsis

The paralk! and perpendicular C6 coefficients for the Ne-HF pair have been estimated at 7.905 and 5.065 au respectively. .4 simple technique, using experimental values of polarisabilities to determine level shifts semi-empirically, produced &x.e values. An important feature of the technique is its suitability for inclusion as a part of an otherwise ab initio treatmcnt of the intcrmolccular force problem.