Fewest-switches with time uncertainty: A modified trajectory surface-hopping algorithm with better accuracy for classically forbidden electronic transitions (vol 116, pg 5424, 2002)

被引:15
作者
Jasper, AW
Stechmann, SN
Truhlar, DG
机构
[1] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA
[2] Univ Minnesota, Inst Supercomp, Minneapolis, MN 55455 USA
关键词
D O I
10.1063/1.1519005
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:10427 / 10427
页数:1
相关论文
共 2 条
[1]   The treatment of classically forbidden electronic transitions in semiclassical trajectory surface hopping calculations [J].
Jasper, AW ;
Hack, MD ;
Truhlar, DG .
JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (04) :1804-1816
[2]   Fewest-switches with time uncertainty: A modified trajectory surface-hopping algorithm with better accuracy for classically forbidden electronic transitions [J].
Jasper, AW ;
Stechmann, SN ;
Truhlar, DG .
JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (13) :5424-5431