HYPERFINE-STRUCTURE CONSTANTS OF (D-I AND THE ZR-II AND HF-II ISOELECTRONIC-SEQUENCES(S)(3) STATES IN LA)

Authors
Citation
Dr. Beck, HYPERFINE-STRUCTURE CONSTANTS OF (D-I AND THE ZR-II AND HF-II ISOELECTRONIC-SEQUENCES(S)(3) STATES IN LA), International journal of quantum chemistry, 65(5), 1997, pp. 555-564
Citations number
22
Categorie Soggetti
Chemistry Physical
ISSN journal
00207608
Volume
65
Issue
5
Year of publication
1997
Pages
555 - 564
Database
ISI
SICI code
0020-7608(1997)65:5<555:HCO(AT>2.0.ZU;2-5
Abstract
Accurate results for hyperfine structure (HFS) constants of (d + s)(n) states often require the inclusion of both correlation and relativist ic effects. Without these, Dirac-Fock HFS constants may have the wrong sign, the energies of uppermost d(n) levels may be wrong by over 1 eV . Here, we demonstrate that these problems persist well into an isoele ctronic sequence, and identify the principle configurations needed to achieve accurate results. (C) 1997 John Wiley & Sons, Inc.