Semi-quartic force fields retrieved from multi-mode expansions: Accuracy, scaling behavior, and approximations-Reference-Cited by-同舟云学术

Semi-quartic force fields retrieved from multi-mode expansions: Accuracy, scaling behavior, and approximations

Published:2015-04-21 Issue:15 Volume:142 Page:154118
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Ramakrishnan Raghunathan¹,Rauhut Guntram²

Affiliation:

1. Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials (MARVEL), Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland

2. Institute for Theoretical Chemistry, University of Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany

Funder

SNSF

Deutsche Forschungsgemeinschaft (DFG)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4918587

Reference63 articles.

1. The Vibration-Rotation Energies of Polyatomic Molecules

2. The Vibration-Rotation Energies of Polyatomic Molecules Part II. Accidental Degeneracies

3. The Vibration-Rotation Energies of Molecules

4. A systematic study of molecular vibrational anharmonicity and vibration—rotation interaction by self-consistent-field higher-derivative methods. Asymmetric top molecules

5. A systematic study of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher-derivative methods. Linear polyatomic molecules

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