Cationic inner valence states of molecular clusters have recently been show
n to decay via a novel intermolecular mechanism. To compute the lifetimes a
nd energies of the non-stationary states, we advocate the strategy to use s
tandard quantum chemistry procedures augmented by complex absorbing potenti
als. A new and efficient complex absorbing potential has been implemented t
o take the non-compact geometry of a molecular cluster into account. Numeri
cal results obtained for(HF)(2)(+) are presented. (C) 1999 Elsevier Science
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