Open AccessComparing (stochastic-selection) ab initio multiple spawning with trajectory surface hopping for the photodynamics of cyclopropanone, fulvene, and dithiane
Author(s) -
Lea M. Ibele,
Yorick Lassmann,
Todd J. Martı́nez,
Basile F. E. Curchod
Publication year - 2021
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0045572
Subject(s) - surface hopping , ab initio , trajectory , potential energy surface , physics , statistical physics , excited state , computer science , quantum mechanics
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