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 |
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