Comparison of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method and the density matrix renormalization group (DMRG) for ground state properties of linear rotor chains-Reference-Cited by-同舟云学术

Comparison of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method and the density matrix renormalization group (DMRG) for ground state properties of linear rotor chains

Published:2021-05-07 Issue:17 Volume:154 Page:174106
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Mainali Samrit¹^ORCID,Gatti Fabien¹^ORCID,Iouchtchenko Dmitri²^ORCID,Roy Pierre-Nicholas²^ORCID,Meyer Hans-Dieter³^ORCID

Affiliation:

1. Université Paris-Saclay, Institut des Sciences Moléculaires d’Orsay ISMO, UMR CNRS 8214, F-91405 Orsay, France

2. Department of Chemistry, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada

3. Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, 69120 Heidelberg, Germany

Funder

Natural Sciences and Engineering Research Council of Canada

Ontario Ministry of Research and Innovation

Canada Research Chairs

Canada Foundation for Innovation

Canada First Research Excellence Fund

The Shared Hierarchical Academic Research Computing Network

Compute Canada

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0047090

Reference60 articles.

1. Grand challenges in basic energy sciences

2. The multi-configurational time-dependent Hartree approach

3. Wave‐packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl

4. The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets

5. Quantum molecular dynamics: propagating wavepackets and density operators using the multiconfiguration time-dependent Hartree method

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