Nonadiabatic excited-state molecular dynamics: On-the-fly limiting of essential excited states

Title
Nonadiabatic excited-state molecular dynamics: On-the-fly limiting of essential excited states
Authors
Keywords
Fewest switches surface hopping, NA-ESMD, Excited state limiting, Local kinetic energy, Poly-phenylene vinylene, Poly-phenylene ethynylene
Journal
CHEMICAL PHYSICS
Volume 481, Issue -, Pages 84-90
Publisher
Elsevier BV
Online
2016-05-19
DOI
10.1016/j.chemphys.2016.05.017

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