Electronically nonadiabatic trajectories: Continuous surface switching II

Michael D. Hack; Donald G. Truhlar

doi:10.1063/1.1342224

Electronically nonadiabatic trajectories: Continuous surface switching II

Michael D. Hack, Donald G. Truhlar

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

58 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 language	English (US)
Pages (from-to)	2894-2902
Number of pages	9
Journal	Journal of Chemical Physics
Volume	114
Issue number	7
DOIs	https://doi.org/10.1063/1.1342224
State	Published - Feb 1 2001

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Electronically nonadiabatic trajectories: Continuous surface switching II

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