# Molecular point groups and symmetry in external magnetic fields

Pausch, A. ; Gebele, M.; Klopper, W.

## Abstract:

As quantum-chemical calculations of molecules in static external magnetic fields are becoming increasingly popular, the description of molecular symmetry under such conditions is also becoming more and more relevant. Using group theory, a general scheme of identifying the molecular point group in an external magnetic field is constructed. For both point groups that are non-existent in the absence of a field (C$_{∞}$and C$_{∞h}$) and their double groups, the character tables are presented. General properties of all possible point groups are discussed, and it is mathematically proven that they are all Abelian.

 Zugehörige Institution(en) am KIT Institut für Nanotechnologie (INT)Institut für Physikalische Chemie (IPC) Publikationstyp Zeitschriftenaufsatz Publikationsjahr 2021 Sprache Englisch Identifikator ISSN: 0021-9606, 1089-7690, 1520-9032 KITopen-ID: 1000140895 HGF-Programm 43.32.01 (POF IV, LK 01) Molecular Materials Basis for Optics & Photonics Erschienen in Journal of Chemical Physics Verlag American Institute of Physics (AIP) Band 155 Heft 20 Seiten Art.-Nr.: 201101 Vorab online veröffentlicht am 23.11.2021 Nachgewiesen in DimensionsScopusWeb of Science
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