Anharmonic spectral features via trajectory-based quantum dynamics: A perturbative analysis of the interplay between dynamics and sampling-Reference-Cited by-同舟云学术

Anharmonic spectral features via trajectory-based quantum dynamics: A perturbative analysis of the interplay between dynamics and sampling

Published:2021-09-14 Issue:10 Volume:155 Page:104108
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Plé Thomas¹,Huppert Simon¹^ORCID,Finocchi Fabio¹,Depondt Philippe¹,Bonella Sara²^ORCID

Affiliation:

1. Sorbonne Université, CNRS, Institut des NanoSciences de Paris, INSP, 4 Place Jussieu, F-75005 Paris, France

2. CECAM Centre Européen de Calcul Atomique et Moléculaire, École Polytechnique Fédérale de Lausanne, Batochimie, Avenue Forel 2, 1015 Lausanne, Switzerland

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0056824

Reference68 articles.

1. Tunnelling in space

2. Quantum Tunneling Enhancement of the C + H2O and C + D2O Reactions at Low Temperature

3. Tunnelling and zero-point motion in high-pressure ice

4. Quantum-driven phase transition in ice described via an efficient Langevin approach

5. Quantum versus classical protons in pure and salty ice under pressure

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