Nonadiabatic dynamics with the help of multiconfigurational Ehrenfest method: Improved theory and fully quantum 24D simulation of pyrazine
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3442747
Reference48 articles.
1. The multi-configurational time-dependent Hartree approach
2. Wave‐packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl
3. The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
4. Molecular dynamics of pyrazine after excitation to the S2 electronic state using a realistic 24-mode model Hamiltonian
5. Multilayer formulation of the multiconfiguration time-dependent Hartree theory
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