dc.contributor.author |
Pernpointner, M. |
en |
dc.contributor.author |
Schwerdtfeger, P. |
en |
dc.contributor.author |
Hess, B.A. |
en |
dc.date.accessioned |
2009-09-03T04:39:32Z |
en |
dc.date.available |
2009-09-03T04:39:32Z |
en |
dc.date.issued |
1998 |
en |
dc.identifier.citation |
Journal of Chemical Physics 108 (16), 6739-6747. 1998 |
en |
dc.identifier.issn |
0021-9606 |
en |
dc.identifier.other |
eid=2-s2.0-0001450943 |
en |
dc.identifier.uri |
http://hdl.handle.net/2292/5180 |
en |
dc.description |
An open access copy of this article is available and complies with the copyright holder/publisher conditions. |
en |
dc.description.abstract |
The nuclear quadrupole moment (NQM) of the 133 isotope of Cs is not accurately known. This is due to the fact that the electric field gradient (EFG) of Cs for the 6p1 2P3/2 excited state was only estimated from the 6p(r-3) expectation value using Hartree-Slater calculations. CsF microwave data yield a very accurate nuclear quadrupole coupling constant (NQCC). We therefore decided to perform relativistic coupled cluster calculations for CsF in order to obtain a more accurate value for the Cs EFG. At the highest level of theory we obtain a NQM for the first vibrational-rotational state of -3.43(10) mb which should be more accurate than the previously estimated value of -3.7(1.6) mb or -9(4) mb. |
en |
dc.publisher |
American Institute of Physics (AIP) |
en |
dc.relation.ispartofseries |
Journal of Chemical Physics |
en |
dc.rights |
Items in ResearchSpace are protected by copyright, with all rights reserved, unless otherwise indicated. Previously published items are made available in accordance with the copyright policy of the publisher. Details obtained from http://www.sherpa.ac.uk/romeo/issn/0021-9606/ |
en |
dc.rights.uri |
https://researchspace.auckland.ac.nz/docs/uoa-docs/rights.htm |
en |
dc.source.uri |
http://dx.doi.org/10.1063/1.476089 |
en |
dc.title |
The nuclear quadrupole moment of 133Cs: Accurate relativistic coupled cluster calculations for CsF within the point-charge model for nuclear quadrupole moments |
en |
dc.type |
Journal Article |
en |
dc.subject.marsden |
Fields of Research::240000 Physical Sciences |
en |
dc.identifier.doi |
10.1063/1.476089 |
en |
pubs.issue |
16 |
en |
pubs.begin-page |
6739 |
en |
pubs.volume |
108 |
en |
dc.description.version |
VoR - Version of Record |
en |
dc.rights.holder |
Copyright: 1998 American Institute of Physics. |
en |
pubs.end-page |
6747 |
en |
dc.rights.accessrights |
http://purl.org/eprint/accessRights/OpenAccess |
en |