On the use of nonrigid-molecular symmetry in nuclear motion computations employing a discrete variable representation: A case study of the bending energy levels of C H 5 +-Reference-Cited by-同舟云学术

On the use of nonrigid-molecular symmetry in nuclear motion computations employing a discrete variable representation: A case study of the bending energy levels of C H 5 +

Published:2017-10-07 Issue:13 Volume:147 Page:134101
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Fábri Csaba¹²^ORCID,Quack Martin²^ORCID,Császár Attila G.¹³^ORCID

Affiliation:

1. Laboratory of Molecular Structure and Dynamics, Institute of Chemistry, Eötvös University, Pázmány Péter sétány 1/A, H-1117 Budapest, Hungary

2. Physical Chemistry, ETH Zürich, CH-8093 Zürich, Switzerland

3. MTA-ELTE Complex Chemical Systems Research Group, P.O. Box 32, H-1518 Budapest 112, Hungary

Funder

COST Project CM1405, MOLIM: Molecules in Motion

NKFIH

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4990297

Reference111 articles.

1. M. Quack,Handbook of High-Resolution Spectroscopy(Wiley, New York, 2011), Vol. 1, pp. 659–722.

2. Symmetrie und Asymmetrie in Wissenschaft und Kunst, Nova Acta Leopoldina NF Vol. 412, edited by M. Quack and J. Hacker (Wissenschaftliche Verlagsgesellschaft, Stuttgart, 2016), pp. 7–275, with 14 articles from various authors.

3. An iteration method for the solution of the eigenvalue problem of linear differential and integral operators

4. The symmetry groups of non-rigid molecules

5. Detailed symmetry selection rules for reactive collisions

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