Test for basis-set errors in relativistic Dirac-Fock-Slater calculations with a numerical AO-DFS-basis

dc.date.accessioned	2008-09-22T08:56:31Z
dc.date.available	2008-09-22T08:56:31Z
dc.date.issued	1987
dc.identifier.uri	urn:nbn:de:hebis:34-2008092223884
dc.identifier.uri	http://hdl.handle.net/123456789/2008092223884
dc.format.extent	337442 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	Test for basis-set errors in relativistic Dirac-Fock-Slater calculations with a numerical AO-DFS-basis	eng
dc.type	Aufsatz
dcterms.abstract	A fully relativistic four-component Dirac-Fock-Slater program for diatomics, with numerically given AO's as basis functions is presented. We discuss the problem of the errors due to the finite basis-set, and due to the influence of the negative energy solutions of the Dirac Hamiltonian. The negative continuum contributions are found to be very small.	eng
dcterms.accessRights	open access
dcterms.alternative	Paper presented at the Adriatico Conference "Relativistic Many-Body Problems", Triests, june 30 - july 4, 1986	eng
dcterms.bibliographicCitation	In: Physica scripta. Stockholm : The Royal Swedish Academy of Sciences. Vol. 36 (1987), S. 268 - 270
dcterms.creator	Sepp, Wolf-Dieter
dcterms.creator	Fricke, Burkhard