Trajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theory
Author:
Affiliation:
1. Computational Molecular Science Research Team, RIKEN Center for Computational Science, 7-1-26 Minatojima-minamimachi, Chuo-ku, Kobe, Hyogo 650-0047, Japan
Funder
Ministry of Education, Culture, Sports, Science and Technology
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5096217
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1. Role of Conical Intersections in Molecular Spectroscopy and Photoinduced Chemical Dynamics
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