Electronic Decay of Molecular Clusters : Non - Stationary States Computed

نویسندگان

  • R. Santra
  • L. S. Cederbaum
چکیده

Cationic inner valence states of molecular clusters have recently been shown to decay via a novel intermolecular mechanism. To compute the lifetimes and energies of the non-stationary states, we advocate the strategy to use standard quantum chemistry procedures augmented by complex absorbing potentials. A new and eecient complex absorbing potential has been implemented to take the non-compact geometry of a molecular cluster into account. Numerical results obtained for (HF) + 2 are presented.

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تاریخ انتشار 1999