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Please use this identifier to cite or link to this item: http://nbn-resolving.de/urn:nbn:de:hebis:34-2008092223893

Titel: Computation of relativistic symmetry orbitals for finite double point groups
Autor(en): Meyer, J.Sepp, Wolf-DieterFricke, BurkhardRosén, Arne
Klassifikation (DDC): 530 - Physik (Physics)
Issue Date: 1989
Zitierform: In: Computer physics communications. Amsterdam : North Holland Publ. 54 (1989), S. 55 - 73
Zusammenfassung: A program is presented for the construction of relativistic symmetry-adapted molecular basis functions. It is applicable to 36 finite double point groups. The algorithm, based on the projection operator method, automatically generates linearly independent basis sets. Time reversal invariance is included in the program, leading to additional selection rules in the non-relativistic limit.
URI: urn:nbn:de:hebis:34-2008092223893
ISSN: 0010-4655
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