AB initio interaction polarizabilities and pair potentials for the ion pairs Li+…Br−, Na+…Br−, K+…Br− and Br−

✍ Scribed by Alan Hinchliffe

• Book ID: 103896704
• Publisher: Elsevier Science
• Year: 1982
• Weight: 268 KB
• Volume: 22
• Category: Article
• ISSN: 0378-4487
• DOI: 10.1016/0378-4487(82)80010-1

✦ Synopsis

Pair potentials and polarizabilities of LiBr, NaBr, KBr and Br~-have been computed over a range of internuclear separations R using the gaussian orbital SCF-MO method.

Together with results previously reported for all other ion pairs, the present values form a complete and consistent set of energy and polarizability data on the bromides of lithium, sodium and potassium.