Semiclassical self-consistent-field method for reactive resonances

Bruce C. Garrett, Donald G Truhlar

Research output: Contribution to journalArticlepeer-review

27 Scopus citations

Abstract

We show that the semiclassical SCF method can be used for stabilization calculations of resonances in chemical reactions. We apply it to four mass combinations with an average absolute error of only 0.6 kcal/mol.

Original languageEnglish (US)
Pages (from-to)64-70
Number of pages7
JournalChemical Physics Letters
Volume92
Issue number1
DOIs
StatePublished - Oct 8 1982

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