Electronically nonadiabatic trajectories: Continuous surface switching II

Michael D. Hack, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

59 Scopus citations


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
Issue number7
StatePublished - Feb 2001


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