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Molecular point groups and symmetry in external magnetic fields.
- Source :
- Journal of Chemical Physics; 11/28/2021, Vol. 155 Issue 20, p1-5, 5p
- Publication Year :
- 2021
-
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<subscript>∞</subscript> and C<subscript>∞</subscript><subscript>h</subscript>) 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. [ABSTRACT FROM AUTHOR]
- Subjects :
- POINT set theory
MAGNETIC fields
GROUP theory
SYMMETRY groups
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 155
- Issue :
- 20
- Database :
- Complementary Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 153907328
- Full Text :
- https://doi.org/10.1063/5.0069859