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Solvent effects on molecular rydberg states: the B 1Σu state of molecular hydrogen in helium

✍ Scribed by E.M. Evleth; J.T. Gleghorn

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
398 KB
Volume
94
Category
Article
ISSN
0009-2614

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✦ Synopsis

Supem~olecule calculations at the SCF level nre reported for the excited B 1 Xu state of the complex Hz(He)e for rqwlx and random&d environments of the hydrogen molecule. Whilst marked blue-shifts are observed in the simulated mnrris environmenf,mndomisation offhe surrounding h&urn atoms causes the transition energy to fzz 10 a value close 10 that of the isolated molecule_ 1. introduction Gaathon and Jortner [l] have sumrnarised the ef-

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