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

J. R. Stine, James Muckerman

Research output: Contribution to journalArticle

43 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
Publication statusPublished - 1987

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Trajectories
trajectories
evaluation
collisions
Testing

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Critical evaluation of classical trajectory surface-hopping methods as applied to the H2 + + H2 system. / Stine, J. R.; Muckerman, James.

In: Journal of Physical Chemistry, Vol. 91, No. 2, 1987, p. 459-466.

Research output: Contribution to journalArticle

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