Decoherence-induced surface hopping.
By H. Jaeger, Sean A. Fischer, Oleg V. Prezhdo. Journal of Chemical Physics, 2012
617 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics
View Paper: https://www.semanticscholar.org/paper/2db7bf2e9655907f645af9dbc4eecca6f4b1a7a9
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In Atomic and Molecular Physics, and Optics
Citations in the corpus
- Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems (2019, methodology): “The NACs are calculated in a finite difference method.61,62 With the coefficients cj(t) and the NACs, hopping probabilities between the adiabatic KS states according to Tully's fewest-switches algorithm can be obtained as41: Pj!k t,Δtð Þ = 2ℜ c*j ckdjk h i Δt c*j cj ð4Þ Further, the probabilities ar”