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) |
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Pages (from-to) | 2894-2902 |
Number of pages | 9 |
Journal | Journal of Chemical Physics |
Volume | 114 |
Issue number | 7 |
DOIs | |
State | Published - Feb 1 2001 |