A preconditioned inexact spectral transform method for calculating resonance energies and widths, as applied to HCO

Bill Poirier, Tucker Carrington

Research output: Contribution to journalArticlepeer-review

67 Scopus citations

Abstract

A complex-symmetric version of the preconditioned inexact spectral transform (PIS) method, suitable for direct resonance calculations, is presented. Used in conjunction with the phase space optimized discrete variable representation (PSO DVR) basis and a semiclassically optimized complex absorbing potential, it enables to calculate HCO resonances with unprecedented accuracy and efficiency.

Original languageEnglish
Pages (from-to)1215-1227
Number of pages13
JournalJournal of Chemical Physics
Volume116
Issue number4
DOIs
StatePublished - Jan 22 2002

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