Critical evaluation of classical trajectory surface-hopping methods as applied to the H2+ + H2 system

J. R. Stine, J. T. Muckerman

Research output: Contribution to journalArticle

42 Citations (Scopus)

Abstract

We analyze the classical trajectory surface-hopping methods of Stine and Muckerman, Tully and Preston, and Blais and Truhlar to determine the appropriateness of each for treating nonadiabatic behavior in H2+ + H2 collisions. The emphasis is on testing the assumptions and evaluating the detailed prescriptions associated with each surface-hopping decision in the three methods.

Original languageEnglish
Pages (from-to)459-466
Number of pages8
JournalJournal of physical chemistry
Volume91
Issue number2
DOIs
Publication statusPublished - Jan 1 1987

ASJC Scopus subject areas

  • Engineering(all)
  • Physical and Theoretical Chemistry

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