Ab-initio calculations of pair-correlation effects on the hyperfine structure of the 4s 4p and 4s 3d configurations of Ca

Salomonson, Sten

doi:10.1007/bf01412255

Cited by 30 publications

(8 citation statements)

References 23 publications

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“…One of the reasons is probably that our wavefunctions do not include configurations with excitations from the core. Such configurations have been found to be important in nonrelativistic MBPT calculations [17,28,29]. On the other hand our calculations are expected to include accurately and on equal footing the effect of relativity and valence-valence correlation for the electrons in the open shells.…”

Section: Hyperjine Structure Constantsmentioning

confidence: 81%

“…In order to test these theoretical methods the interest of many groups has now focused on two electron systems and in particular the alkaline earth elements [27]. A MBPT treatment is here more difficul t to perform than in the alkali atoms due to the correlation between the valence electrons although some non-relativistic calculations have recently been performed [28,29]. It is for these systems important to calculate LS-dependent zero order wavefunctions as the starting of the MBPT approach.…”

Section: Isotope Shift Theorymentioning

confidence: 99%

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Analysis of the electronic structure, hyperfine structure, and volume isotope shifts in the low lying states of Ba I and Ba II

et al. 1988

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Relativistic multi-configuration Dirac Fock (MCDF) wavefunctions coupled to good angular momentum J have been ca1culated for low lying states of Ba I and Ba 11. These wavefunctions are compared with semiempirical ones derived from experimental atomic energy levels. It is found that significantly better agreement is obtained when close configurations are included in the MCDF wavefunctions. Ca1culations of the electronic part of the field isotope shift lead to very good agreement with electronic factors derived from experimental data. Furthermore, the slopes of the lines in a King plot analysis of many of the optical lines are predicted accurately by these ca1culations. However, the MCDF wavefunctions seem not to be of sufficient accuracy to give agreement with the experimental magnetic dipole and electric quadrupole hyperfine structure constants.

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Section: Hyperjine Structure Constantsmentioning

confidence: 81%

Section: Isotope Shift Theorymentioning

confidence: 99%

Analysis of the electronic structure, hyperfine structure, and volume isotope shifts in the low lying states of Ba I and Ba II

et al. 1988

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“…Part of the answer can be found by comparing the assumptions (2) with the results of the detailed RMBPT CaII calculations [3]. These show that for the 4p state <r-3>/ --3 --3 :(r >sd:(r >q:<r-3>o=0.972-1:l.062:0.12, which From [13], no error quoted r From [ 13] (using data from [ 11 ]), no error quoted makes (2) a good assumption in this case. It should be noted however that the small contact contribution to the hyperfine field is due to polarization and correlation contributions of opposite sign and comparable amplitude.…”

Section: Z~z (1 ~A)mentioning

confidence: 93%

Hyperfine structure constants of the CaII states 4s 2 S 1/2 and 4p 2 P 1/2, 3/2 and the nuclear quadrupole moment of43Ca

Silverans

Vermeeren

Neugart

et al. 1991

Z Phys D - Atoms, Molecules and Clusters

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Atoms, Moleculeszoi,.oh., and Clusters fi~r Physik D © Springer-Verlag 199t Hyperfine structure constants of the Call states 4s 2S1/z and 4p 2p and the nuclear quadrupole moment of 3Ca 1/2, 3/2 R.E. Silverans ~, L. Vermeeren ~, R. Neugart 2, P. Lievens 3., and the ISOLDE Collaboration 3Abstract. The hyperfine structure splittings of the 4s2S~/a--,4pZP~/;,3/2 transitions in 43CaII have been measured by fast ion beam collinear laser spectroscopy. The resonant laser interaction was observed using nonoptical detection based on optical ground state depopulation pumping, state selective neutralization and charge state separated particle counting. The extracted magnetic dipole hyperfine structure constants for 43Ca A (2S1/2) = --805(2) MHz, A (2P1/2) = -145.5(1.0) MHz and A (2p3/2)=-31.9(0.2)MHz are in excellent agreement with relativistic many body perturbation theory predictions available ['or this alkali-like ion. The combined results are used to evaluate the semi-empirical analysis method. From the electrical quadrupole hyperfine structure constant B(2P3/2) = -6.7(1.4) MHz and the calculated B/Q value for this one valence electron configuration, the nuclear quadrupole moment Q (43Ca) = -0.043(9)b is derived. This result supports a previous evaluation based on the hyperfine structure of the two valence electron 3p configurations of CaI.

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“…Again, theoretical estimations of these quantities are used to test the correct behavior of wave functions in the nuclear region [23,24]. Nuclear magnetic moment of 43 Ca is known within sub-one percent accuracy [25], but its reported nuclear quadrupole moment values vary from −0.0408(8)b to −0.065 (20)b [26,27,28,29,30]. Using the accurate matrix element of the electric quadrupole hyperfine interaction operator and precisely measured [31] electric quadrupole hyperfine structure constant of the 3d 2 D 5/2 state in 43 Ca + , we determine its nuclear quadrupole moment.…”

Section: Introductionmentioning

confidence: 99%

Nuclear quadrupole moment ofC43aand hyperfine-structure studies of its singly charged ion

Sahoo

2009

Phys. Rev. A

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By combining our theoretical calculation and recently measured electric quadrupole hyperfine structure constant of the 3d 2 D 5/2 state in the singly ionized 43 Ca, we determine its nuclear quadrupole moment to one percent accuracy. The obtained result, −0.0444(6)b, is about ten percent improvement over the considered standard value. We have employed the relativistic coupled-cluster theory at single and double excitations level to calculate the electronic wave functions. The accuracy of these wave functions are estimated by comparing our calculated magnetic dipole hyperfine constants with their corresponding available experimental results of many low-lying states. We also present hyperfine structure constants for other higher excited states where experimental results are not reported. Role of the Breit interaction has been investigated in these properties.

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Ab-initio calculations of pair-correlation effects on the hyperfine structure of the 4s 4p and 4s 3d configurations of Ca

Cited by 30 publications

References 23 publications

Analysis of the electronic structure, hyperfine structure, and volume isotope shifts in the low lying states of Ba I and Ba II

Analysis of the electronic structure, hyperfine structure, and volume isotope shifts in the low lying states of Ba I and Ba II

Hyperfine structure constants of the CaII states 4s 2 S 1/2 and 4p 2 P 1/2, 3/2 and the nuclear quadrupole moment of43Ca

Nuclear quadrupole moment ofC43aand hyperfine-structure studies of its singly charged ion

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