Research Data for Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes

Gonzalez, Leticia

Research Data for Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes

Version 2 2019-08-09, 11:14

Version 1 2019-05-20, 13:27

Posted on 2019-08-09 - 11:14 authored by Felix Plasser

Supporting Research Data for Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes by F. Plasser, S. Mai, M. Fumanal, E. Gindensperger, C. Daniel, L. Gonzalez published in the J. Chem. Theory Comput. (DOI: 10.1021/acs.jctc.9b00525).

The data is given in the form of input and output files for SHARC.

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Plasser, Felix; Mai, Sebastian; Fumanal, Maria; Gindensperger, Etienne; Daniel, Chantal; Gonzalez, Leticia (2019). Research Data for Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes. Loughborough University. Collection. https://doi.org/10.17028/rd.lboro.c.4493135.v2

https://doi.org/10.17028/rd.lboro.c.4493135.v2

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