A-VCI: A flexible method to efficiently compute vibrational spectra-Reference-Cited by-同舟云学术

A-VCI: A flexible method to efficiently compute vibrational spectra

Published:2017-06-05 Issue:21 Volume:146 Page:214108
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Odunlami Marc¹^ORCID,Le Bris Vincent¹,Bégué Didier¹,Baraille Isabelle¹^ORCID,Coulaud Olivier²

Affiliation:

1. Université de Pau et des Pays de l’Adour, CNRS, Institut des Sciences Analytiques et de Physico-Chimie pour l’Environnement et les Matériaux, UMR5254, 64000 Pau, France

2. HiePACS Project-Team, Inria Bordeaux Sud-Ouest, 200, Avenue de la Vieille Tour, 33405 Talence Cedex, France

Funder

Conseil Régional d'Aquitaine

Wellcome Trust

National Institutes of Health

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference52 articles.

1. Application of SCF-SI theory to vibrational motion in polyatomic molecules

2. The variational method for the calculation of RO-vibrational energy levels

3. A comparison of two methods for selecting vibrational configuration interaction spaces on a heptatomic system: Ethylene oxide

4. Variational quantum approaches for computing vibrational energies of polyatomic molecules

5. Discrete-Variable Representations and their Utilization

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