THE UNIMOLECULAR DISSOCIATION OF HCO. IV. VARIATIONAL CALCULATION OF SIEGERT STATES
作者： Hans-Martin Keller , Reinhard Schinke
DOI: 10.1063/1.478862
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摘要: We present a new variational method for calculating complex resonance (Siegert) states in unimolecular dissociation reactions. The approach is based on the log-derivative version of Kohn principle. basic matrix equations can be formulated terms scattering-wave boundary conditions yielding as homogeneous solutions singular energies. Thus, positions and widths calculated directly without employing an artificial absorbing potential. This applied to photodissociation HCO DCO results are compared parameters obtained from absorption-type spectra.
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