New sequences of avoided crossings in the correlation diagram of H2+and their significance for doubly-excited atomic states
- 14 July 1989
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic, Molecular and Optical Physics
- Vol. 22 (13) , L353-L359
- https://doi.org/10.1088/0953-4075/22/13/002
Abstract
The authors have identified new sequences of avoided crossings between the adiabatic MO of H2+. The diabatic potential connecting them has been obtained and corresponds to the localisation of electron density on the saddle of the two-centre Coulomb potential. This is the direct molecular analogue of the diabatic potential which gives rise to a class of symmetric doubly-excited states of two-electron atoms. In this way a new connection is made between molecular structure and the structure of resonant atomic states.Keywords
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