Ab initio quantum direct dynamics simulations of ultrafast photochemistry with Multiconfigurational Ehrenfest approach

Autor: Makhov, Dmitry V., Symonds, Christopher, Fernandez-Alberti, Sebastian, Shalashilin, Dmitrii V.
Zdroj: In Chemical Physics 17 August 2017 493:200-218
Databáze: ScienceDirect