✦ LIBER ✦

An ab initio study of the hydrated positron

✍ Scribed by V.L. Bugaenko; V.L. Grishkin

Publisher: Elsevier Science
Year: 1983
Tongue: English
Weight: 284 KB
Volume: 103
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(83)80378-9

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✦ Synopsis

Ah initio calculations are presented for the hydration eneeJ* of the positron. Tetrahedral molecular-dipole-oriented clusters e+(H,O), are considered. In performing these calculations, the Hartree-Fock MO LCAO SCF approximation \ith the 4-31G split-valence basis set is used. The method \kas modified to treat the positron problem. It is shown that e+ in liquid water, like an electron, can be strongly solvated, with the hydration ener=T 0.2-0.3 eV greater than that of e+.

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