Stabilization calculations of resonance energies for chemical reactions

Todd C. Thompson, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

25 Scopus citations

Abstract

Resonance energies for chemically reactive systems are computed from square-integrable wave functions, using both SCF and CI trial functions. We consider three mass combinations (H+FH, H+H2, and H+MuH) and compare to accurate scattering calculations for model potential energy surfaces.

Original languageEnglish (US)
Pages (from-to)1790-1794
Number of pages5
JournalThe Journal of chemical physics
Volume76
Issue number4
DOIs
StatePublished - 1982

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