Magnetic Hyperfine Structure of the Ground State of Lithium

Nesbet, R. K.

doi:10.1103/physrev.118.681

Cited by 51 publications

(8 citation statements)

References 8 publications

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“…In particular, one calculation based on configurations biased towards hfs gives the expected good hfs result but a poor energy, while the reverse is true of the other calculation. 8 ' 27 These results have been interpreted by Nesbet 27 to indicate again the near independence of spin polarization and correlation effects.…”

Section: Discussionmentioning

confidence: 54%

Many-Body Approach to the Atomic Hyperfine Problem. I. Lithium-Atom Ground State

1968

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The Brueckner-Go Ids tone many-body perturbation method, previously utilized for calculations of atomic correlation energies and polarizabilities, has been extended to the study of the hyperfine structure. The correlation energy as well as the hyperfine coupling constant of the lithium atom are calculated and compared with the results of some earlier methods. The present method makes use of Feynman-like diagrams which facilitate the evaluation of the importance of various physical effects. Analysis of the hyperfine diagrams shows that the difference between the experimental and the Hartree-Fock values is mainly accounted for by spin polarization, although correlation effects are by no means negligible. Our result of 2. 887 a. u. agrees very well with the experimental value of 2. 9096 a.u. The excellent result for the total energy of -7.478 a.u., comparing with the corresponding experimental value of -7.47807 a.u., shows that the wave function is good over-all, as well as in the region near the nucleus.

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Section: Discussionmentioning

confidence: 54%

Many-Body Approach to the Atomic Hyperfine Problem. I. Lithium-Atom Ground State

1968

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“…Their results on a, using the traditional Hartree-Fock" are always in very poor agreement with experiments; thus indicating the necessity of taking into account the correlation and other corrections. Nesbet [5] has calculated a, (using configuration interaction (CI) wave functions) for Li [7] which agrees within 1 % of the experimental value; while Sachs [3] has reported a, calculated using projected unrestricted HartreeFock (PUHF) and unrestricted Hartree-Fock (UHF) wave functions and obtaining thus a great improvement over the a, from Hartree-Fock functions.…”

Section: General Theorymentioning

confidence: 90%

“…I n particular we must mention the work of Sachs [3], Goodings [4] , Nesbet [5] , and Malli and Fraga [6]. Their results on a, using the traditional Hartree-Fock" are always in very poor agreement with experiments; thus indicating the necessity of taking into account the correlation and other corrections.…”

Section: General Theorymentioning

confidence: 91%

Fermi contact interaction constants calculated from numerical hartree-fock wave functions

Malli

Froese

2009

Int. J. Quantum Chem.

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Fermi contact interaction constants (ac) have been evaluated for a large number of atomsusing the numerical Hartree-Fock wave functions of Froese [ 13. Agreement between the calculated and the experimental values of a, is rather poor, indicating Hartree-Fock functions cannot be used to describe accurately the electronic spin density at the nucleus. General TheoryFermi [l, 21 has proved that the interaction between the magnetic moment ( p r ) of a nucleus (with nuclear spin angular momentum I) and the magnetic moment of an electron gives rise to a term in the hyperfine structure splitting (hfs) of the atomic energy levels. This interaction is effective only at very short ranges and is termed the Fermi contact ierm. As s-type electrons are the only ones with non-zero wave functions, and thus have finite non-zero densities at the nucleus, these are the only electrons which contribute to the Fermi contact term. According to Fermi [l, 21 the Hamiltonian H, for the contact term can be written as:where pB and p N are the Bohr and nuclear magnetons, ge and gn are the electronic and nuclear gyromagnetic ratios for the electron and the nucleus related to magnetic moments (p8 and p I , respectively) by the relations: *

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“…This leads to the radial contact term (f) (see Nesbet (1960)) ( f ) = 2,9806 correcting an arithmetical error in Sharma (1962).…”

Section: The Hf Values For the 3-electron Atommentioning

confidence: 99%

The Mechanism Responsible for a Low Electrostatic Discharge Failure Threshold of an Output Buffer Circuit with Low Current Drive Capability

Shih

Lee

et al. 2000

Jpn. J. Appl. Phys.

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The first-order Hartree-Fock (HF) equations for the ground state of atomic systems with 4 to 10 electrons are deduced from the corresponding unrestricted (UHF) equations given previously. The second-order HF energies are given exactly and the third-order energies very accurately. Each atom is treated as a special case of a general scheme. The third-order energy of lithium is calculated very accurately, completing Linderberg's calculation.The H F ground state energies of atoms with 3-10 electrons are shown to differ very little from the corresponding U H F energies previously given.The zero-and first-order expectation values of various operators are related to their corresponding U H F values.

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Magnetic Hyperfine Structure of the Ground State of Lithium

Cited by 51 publications

References 8 publications

Many-Body Approach to the Atomic Hyperfine Problem. I. Lithium-Atom Ground State

Many-Body Approach to the Atomic Hyperfine Problem. I. Lithium-Atom Ground State

Fermi contact interaction constants calculated from numerical hartree-fock wave functions

The Mechanism Responsible for a Low Electrostatic Discharge Failure Threshold of an Output Buffer Circuit with Low Current Drive Capability

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