Importance of Appropriately Regularizing the ML-MCTDH Equations of Motion
Author:
Affiliation:
1. Department of Chemistry, University of Colorado Denver, Denver, Colorado 80217-3364, United States
2. Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany
Funder
National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c11221
Reference79 articles.
1. Wave‐packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl
2. The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
3. Quantum molecular dynamics: propagating wavepackets and density operators using the multiconfiguration time-dependent Hartree method
4. Multidimensional Quantum Dynamics
5. Studying molecular quantum dynamics with the multiconfiguration time-dependent Hartree method
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