ausblenden:
Schlagwörter:
-
Zusammenfassung:
The doubly excited 1Σg+ and 3Σu+ states of the H2 molecule converging to the H(n=2)+H(n'=2) limit have been calculated using explicitly correlated basis functions, giving accurate results out to a nuclear separation sufficiently large to apply asymptotic expansions for the potential energy. The autoionization widths have been obtained using the complex-scaling method. For nuclear separations larger than 22 a.u., asymptotic expressions for the interaction energies have been obtained from perturbation theory.
