Stabilization calculations and probability densities for the well-studied collisional resonances in collinear F + H2, F + HD, and F + D2

Todd C. Thompson, Donald G Truhlar

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17 Scopus citations

Abstract

We have used the stabilization method with a two-dimensional harmonic oscillator basis set to calculate resonance wave functions for the collinear reactions F + H2 → FH + H, F + HD → FH + D, and F + D2 → FD + D on the well-studied Muckerman no. 5 potential energy surface. We present plots of eigenvalue vs. scale parameter and contour maps of probability density |ψ|2 both showing the relative stability of resonance roots for these systems. In addition, the contour maps provide a clear assignment of quantum numbers and a pictorial illustration of the dynamical interpretation of the resonances.

Original languageEnglish (US)
Pages (from-to)210-214
Number of pages5
JournalJournal of physical chemistry
Volume88
Issue number2
StatePublished - Dec 1 1984

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