Electronically nonadiabatic trajectories: Continuous surface switching II

Michael D. Hack, Donald G. Truhlar

Research output: Contribution to journalArticle

47 Scopus citations

Abstract

An algorithm is presented for the continuous surface switching (CSS) method for calculating nonadiabatic trajectory values. The new continuous surface switching method CSS2 satisfied nine criteria of reasonableness. The accuracy of the new method was found to be better than the trajectory surface hopping method.

Original languageEnglish (US)
Pages (from-to)2894-2902
Number of pages9
JournalJournal of Chemical Physics
Volume114
Issue number7
DOIs
StatePublished - Feb 1 2001

Fingerprint Dive into the research topics of 'Electronically nonadiabatic trajectories: Continuous surface switching II'. Together they form a unique fingerprint.

  • Cite this