Relativistic One-Electron Calculations of Shielded Atomic Hyperfine Constants

Amoruso, M.; Johnson, W. R.

doi:10.1103/physreva.3.6

Cited by 17 publications

(3 citation statements)

References 17 publications

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“…[I81 Then xA is the usual expression for the Pauli susceptibility Secondly, there is the contribution of the doubly-occupied states in 07: (14) 1 . f [ I v k f (rs)12 -lWkl (rs)121 dz* .…”

Section: Theorymentioning

confidence: 99%

“…The hyperfine fields at the nuclear positions deduced from the local density approach depend on the chosen exchangecorrelation potential and therefore it is not expected that one should get quantitative agreement between the experimental and theoretical results [5,14,151. However, it was found that the ratios P F / P A , where PA is the atomic probability density, are similar for various exchange-correlation potentials [S].…”

Section: Introductionmentioning

confidence: 99%

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Theoretical Study of the Pressure Dependence of the Knight Shift in Alkali Metals

Leiberich

Philipp

Schmidt

1990

Ber Bunsenges Phys Chem

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Metals 1 Quantum Mechanics f Spectroscopy, Nuclear Magnetic Resonance f Wave FunctionsFor Li and Na metals we investigated theoretically the pressure dependence of the atomic spin susceptibility xA, the probability density PF and the Knight shift K, = (8x/3)xAPF by the spin polarized version of the scalar relativistic augmented plane wave method. The calculations were performed within the volume range V, 2 V 2 0.5 Vo, where Vo is the volume at 1 bar. Recently it was found experimentally by Bertani et al. that a) the slopes of the curves K, = Ks( V ) have different signs for lithium and sodium metals and b) for high pressures K,(V) goes through a minimum for Na metal. We found in the present investigation that this behavior can be understood in terms of a competition between the pressure dependence of xA and PF for these metals.

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“…[I81 Then xA is the usual expression for the Pauli susceptibility Secondly, there is the contribution of the doubly-occupied states in 07: (14) 1 . f [ I v k f (rs)12 -lWkl (rs)121 dz* .…”

Section: Theorymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Theoretical Study of the Pressure Dependence of the Knight Shift in Alkali Metals

Leiberich

Philipp

Schmidt

1990

Ber Bunsenges Phys Chem

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“…In the nonrelativistic proton limit the formula (26) reduces to the expression for the hfs constant b for a Dirac electron [23,24].…”

Section: Electric Multipole Interactionsmentioning

confidence: 99%

Hyperfine structure of the state of highly charged ions

Labzowsky

Goidenko

Gorshtein

et al. 1997

J. Phys. B: At. Mol. Opt. Phys.

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The 'dynamical' model of the hyperfine structure in which the electron is assumed to interact with the valence proton through the exchange of a photon is applied to the 2p 3/2 state of highly charged 209 83 Bi ions. The contributions of the magnetic dipole, electric quadrupole and magnetic octupole moments are calculated. The outer proton charge and magnetic moment distributions and the relativistic effect in the motion of this proton are taken into account.

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Hartree-Fock Cluster Procedure for Study of Hyperfine Properties of Condensed Matter Systems

Das

Fundamental Materials Research

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Relativistic One-Electron Calculations of Shielded Atomic Hyperfine Constants

Cited by 17 publications

References 17 publications

Theoretical Study of the Pressure Dependence of the Knight Shift in Alkali Metals

Theoretical Study of the Pressure Dependence of the Knight Shift in Alkali Metals

Hyperfine structure of the state of highly charged ions

Hartree-Fock Cluster Procedure for Study of Hyperfine Properties of Condensed Matter Systems

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