Use of vibrationally adiabatic basis functions for inelastic atom-molecule scattering

Nancy Mullaney Harvey, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

Convergence rates are compared for adiabatic basis sets and conventional free-molecule basis sets for the expansion of the scattering wavefunction in the quantal treatment of a collinear model of vibrationally inelastic He-H2 scattering. Vibrationally adiabatic basis sets lead to faster convergence (and increased accuracy) than basis sets of asymptotic target eigenfunctions

Original languageEnglish (US)
Pages (from-to)252-256
Number of pages5
JournalChemical Physics Letters
Volume74
Issue number2
DOIs
StatePublished - Jan 1 1980

Fingerprint Dive into the research topics of 'Use of vibrationally adiabatic basis functions for inelastic atom-molecule scattering'. Together they form a unique fingerprint.

Cite this