title: Non-Hermitian quantum mechanics: wave packet propagation on autoionizing potential energy surfaces.
abstract: The correspondence between the time-dependent and time-independent molecular dynamic formalisms is shown for autoionizing processes. We demonstrate that the definition of the inner product in non-Hermitian quantum mechanics plays a key role in the proof. When the final state of the process is dissociative, it is technically favorable to introduce a complex absorbing potential into the calculations. The conditions which this potential should fulfill are briefly discussed. An illustrative numerical example is presented involving three potential energy surfaces.
authors.affiliation: Department of Chemistry and Minerva Center of Nonlinear Physics in Complex Systems Technion, Israel Institute of Technology, Haifa 32000, Israel.
authors.forename: N
authors.initials: N
authors.lastname: Moiseyev
authors.forename: S
authors.initials: S
authors.lastname: Scheit
authors.forename: L S
authors.initials: LS
authors.lastname: Cederbaum