Adiabatic and strictly diabatic potential curves of He2+2.

Autor: Kolbuszewski, Marcin, Gu, J.-P.
Předmět:
Zdroj: Journal of Chemical Physics; 11/1/1995, Vol. 103 Issue 17, p7649, 2p
Abstrakt: Adiabatic and strictly diabatic potential curves were calculated for the two lowest electronic states of He22+. The diabatization procedure leads to a repulsive diabatic curve dissociating to He+ + He+ and a bound curve dissociating to He2+ + He, crossing at the internuclear distance of 1.55 bohr. The diabatic bound state has dissociation energy of 3.15 eV. The existence of a metastable potential well in the (adiabatic) X1Σg+ state of He22+ can be interpreted in terms of a strong interaction between the diabatic curves. © 1995 American Institute of Physics. [ABSTRACT FROM AUTHOR]
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