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 |
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