Computation of relativistic symmetry orbitals for finite double point groups

dc.date.accessioned	2008-09-22T09:03:02Z
dc.date.available	2008-09-22T09:03:02Z
dc.date.issued	1989
dc.identifier.issn	0010-4655
dc.identifier.uri	urn:nbn:de:hebis:34-2008092223893
dc.identifier.uri	http://hdl.handle.net/123456789/2008092223893
dc.format.extent	830687 bytes
dc.format.mimetype	application/pdf
dc.language.iso	eng
dc.rights	Urheberrechtlich geschützt
dc.rights.uri	https://rightsstatements.org/page/InC/1.0/
dc.subject.ddc	530
dc.title	Computation of relativistic symmetry orbitals for finite double point groups	eng
dc.type	Aufsatz
dcterms.abstract	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.	eng
dcterms.accessRights	open access
dcterms.bibliographicCitation	In: Computer physics communications. Amsterdam : North Holland Publ. 54 (1989), S. 55 - 73
dcterms.creator	Meyer, J.
dcterms.creator	Sepp, Wolf-Dieter
dcterms.creator	Fricke, Burkhard
dcterms.creator	Rosén, Arne