Relativistic effects on the hyperfine structures of 2 p(4)(P3)3 p D2(o), D4(o), and P4(o) in F19 I
(2013) In Physical Review A (Atomic, Molecular and Optical Physics) 88(4). Abstract
 The hyperfine interaction constants of the 2p(4)(P3)3p D2(3/2,5/2)o, D4(1/27/2)o, and P4(1/25/2)o levels in neutral fluorine are investigated theoretically. Largescale calculations are carried out using the multiconfiguration HartreeFock (MCHF) and DiracHartreeFock (MCDHF) methods. In the framework of the MCHF approach, the relativistic effects are taken into account in the BreitPauli approximation using nonrelativistic orbitals. In the fully relativistic approach, the orbitals are optimized using the DiracCoulomb Hamiltonian with correlation models inspired by the nonrelativistic calculations. Higherorder excitations are captured through multireference configuration interaction calculations including the Breit interaction. In... (More)
 The hyperfine interaction constants of the 2p(4)(P3)3p D2(3/2,5/2)o, D4(1/27/2)o, and P4(1/25/2)o levels in neutral fluorine are investigated theoretically. Largescale calculations are carried out using the multiconfiguration HartreeFock (MCHF) and DiracHartreeFock (MCDHF) methods. In the framework of the MCHF approach, the relativistic effects are taken into account in the BreitPauli approximation using nonrelativistic orbitals. In the fully relativistic approach, the orbitals are optimized using the DiracCoulomb Hamiltonian with correlation models inspired by the nonrelativistic calculations. Higherorder excitations are captured through multireference configuration interaction calculations including the Breit interaction. In a third (intermediate) approach, the DiracCoulombBreit Hamiltonian matrix is diagonalized in a relativistic configuration space built with nonrelativistic MCHF radial functions converted into Dirac spinors using the Pauli approximation. The magnetic dipole hyperfinestructure constants calculated with the three relativistic models are consistent and reveal unexpectedly large effects of relativity for 2D(5/2)(o), P4(3/2)o, and P4(5/2)o. The agreement with the few available experimental values is satisfactory. The strong J dependence of relativistic corrections on the hyperfine constants is investigated through the detailed analysis of the orbital, spindipole, and contact relative contributions calculated with the nonrelativistic magnetic dipole operator. (Less)
Please use this url to cite or link to this publication:
http://lup.lub.lu.se/record/4163393
 author
 Carette, Thomas ; Nemouchi, Messaoud ; Li, Jiguang ^{LU} and Godefroid, Michel
 organization
 publishing date
 2013
 type
 Contribution to journal
 publication status
 published
 subject
 in
 Physical Review A (Atomic, Molecular and Optical Physics)
 volume
 88
 issue
 4
 article number
 042501
 publisher
 American Physical Society
 external identifiers

 wos:000325494200003
 scopus:84885206803
 ISSN
 10502947
 DOI
 10.1103/PhysRevA.88.042501
 language
 English
 LU publication?
 yes
 id
 d4903b380618464382f8f51a4557759d (old id 4163393)
 date added to LUP
 20160401 10:29:34
 date last changed
 20200112 03:57:20
@article{d4903b380618464382f8f51a4557759d, abstract = {The hyperfine interaction constants of the 2p(4)(P3)3p D2(3/2,5/2)o, D4(1/27/2)o, and P4(1/25/2)o levels in neutral fluorine are investigated theoretically. Largescale calculations are carried out using the multiconfiguration HartreeFock (MCHF) and DiracHartreeFock (MCDHF) methods. In the framework of the MCHF approach, the relativistic effects are taken into account in the BreitPauli approximation using nonrelativistic orbitals. In the fully relativistic approach, the orbitals are optimized using the DiracCoulomb Hamiltonian with correlation models inspired by the nonrelativistic calculations. Higherorder excitations are captured through multireference configuration interaction calculations including the Breit interaction. In a third (intermediate) approach, the DiracCoulombBreit Hamiltonian matrix is diagonalized in a relativistic configuration space built with nonrelativistic MCHF radial functions converted into Dirac spinors using the Pauli approximation. The magnetic dipole hyperfinestructure constants calculated with the three relativistic models are consistent and reveal unexpectedly large effects of relativity for 2D(5/2)(o), P4(3/2)o, and P4(5/2)o. The agreement with the few available experimental values is satisfactory. The strong J dependence of relativistic corrections on the hyperfine constants is investigated through the detailed analysis of the orbital, spindipole, and contact relative contributions calculated with the nonrelativistic magnetic dipole operator.}, author = {Carette, Thomas and Nemouchi, Messaoud and Li, Jiguang and Godefroid, Michel}, issn = {10502947}, language = {eng}, number = {4}, publisher = {American Physical Society}, series = {Physical Review A (Atomic, Molecular and Optical Physics)}, title = {Relativistic effects on the hyperfine structures of 2 p(4)(P3)3 p D2(o), D4(o), and P4(o) in F19 I}, url = {https://lup.lub.lu.se/search/ws/files/1888734/4252443.pdf}, doi = {10.1103/PhysRevA.88.042501}, volume = {88}, year = {2013}, }