| dc.date.accessioned | 2008-10-20T11:00:42Z | |
| dc.date.available | 2008-10-20T11:00:42Z | |
| dc.date.issued | 1990 | |
| dc.identifier.issn | 0021-9606 | |
| dc.identifier.uri | urn:nbn:de:hebis:34-2008102024654 | |
| dc.identifier.uri | http://hdl.handle.net/123456789/2008102024654 | |
| dc.format.extent | 829311 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 | Ionization potentials and radii of atoms and ions of element 104 (unnilquadium) and of hafnium (2+) derived from multiconfiguration Dirac-Fock calculations | eng |
| dc.type | Aufsatz | |
| dcterms.abstract | Multiconfiguration relativistic Dirac-Fock (MCDF) values have been computed for the first four ionization potentials (IPs) of element 104 (unnilquadium) and of the other group 4 elements (Ti, Zr, and Hf). Factors were calculated that allowed correction of the systematic errors between the MCDF IPs and the experimental IPs. Single "experimental" IPs evaluated in eV (to ± 0.1 eV) for element 104 are: [104(0),6.5]; [104( 1 + ),14.8]; [104(2 + ),23.8]; [104(3 + ),31.9]. Multiple experimental IPs evaluated in eV for element 104 are: [(0-2+ ),21.2±0.2]; [(0-3+ ),45.1 ±0.2]; [(0-4+ ),76.8±0.3].Our MCDF results track 11 of the 12 experimental single IPs studied for group 4 atoms and ions. The exception is Hf( 2 + ). We submit our calculated IP of 22.4 ± 0.2 eV as much more accurate than the value of 23.3 eV derived from experiment. | eng |
| dcterms.accessRights | open access | |
| dcterms.bibliographicCitation | In: The journal of chemical physics. - Melville, NY : AIP, 93.1990, S. 8041 - 8050 | |
| dcterms.creator | Johnson, Elijah | |
| dcterms.creator | Fricke, Burkhard | |
| dcterms.creator | Keller Jr., O. Lewin | |
| dcterms.creator | Nestor Jr., Charles William | |
| dcterms.creator | Tucker, Thomas C. | |
