A linear interpolation of the electronic levels of f2-system in octahedral coordination

H. U. Rahman

Research output: Contribution to journalArticle

Abstract

The transition from LS to jj coupling within the f2 configuration is shown schematically as a function of ? F2, and the composition of levels in the intermediate coupling is given at ? F2 = 4·2, 8·4 and 12·6. Also, the energy levels of f2-system in an octahedral crystal-field were calculated by diagonalizing complete Coulomb, spin-orbit and crystal-field interaction matrices for a range of values of the parameters F2, F4, F6, ?, A4  r4 and A66. The eigenvalues were expanded by T linear interpolation to describe the variation of the energy levels as a function of these parameters is presented. The accuracy of this interpolation is indicated. © 1969.

Original languageEnglish
Pages (from-to)2497-2502
Number of pages6
JournalJournal of Physics and Chemistry of Solids
Volume30
Issue number11
Publication statusPublished - Nov 1969

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electronic levels
crystal field theory
interpolation
energy levels
eigenvalues
orbits
matrices
configurations
interactions

Cite this

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abstract = "The transition from LS to jj coupling within the f2 configuration is shown schematically as a function of ? F2, and the composition of levels in the intermediate coupling is given at ? F2 = 4·2, 8·4 and 12·6. Also, the energy levels of f2-system in an octahedral crystal-field were calculated by diagonalizing complete Coulomb, spin-orbit and crystal-field interaction matrices for a range of values of the parameters F2, F4, F6, ?, A4  r4 and A66. The eigenvalues were expanded by T linear interpolation to describe the variation of the energy levels as a function of these parameters is presented. The accuracy of this interpolation is indicated. {\circledC} 1969.",
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A linear interpolation of the electronic levels of f2-system in octahedral coordination. / Rahman, H. U.

In: Journal of Physics and Chemistry of Solids, Vol. 30, No. 11, 11.1969, p. 2497-2502.

Research output: Contribution to journalArticle

TY - JOUR

T1 - A linear interpolation of the electronic levels of f2-system in octahedral coordination

AU - Rahman, H. U.

PY - 1969/11

Y1 - 1969/11

N2 - The transition from LS to jj coupling within the f2 configuration is shown schematically as a function of ? F2, and the composition of levels in the intermediate coupling is given at ? F2 = 4·2, 8·4 and 12·6. Also, the energy levels of f2-system in an octahedral crystal-field were calculated by diagonalizing complete Coulomb, spin-orbit and crystal-field interaction matrices for a range of values of the parameters F2, F4, F6, ?, A4  r4 and A66. The eigenvalues were expanded by T linear interpolation to describe the variation of the energy levels as a function of these parameters is presented. The accuracy of this interpolation is indicated. © 1969.

AB - The transition from LS to jj coupling within the f2 configuration is shown schematically as a function of ? F2, and the composition of levels in the intermediate coupling is given at ? F2 = 4·2, 8·4 and 12·6. Also, the energy levels of f2-system in an octahedral crystal-field were calculated by diagonalizing complete Coulomb, spin-orbit and crystal-field interaction matrices for a range of values of the parameters F2, F4, F6, ?, A4  r4 and A66. The eigenvalues were expanded by T linear interpolation to describe the variation of the energy levels as a function of these parameters is presented. The accuracy of this interpolation is indicated. © 1969.

M3 - Article

VL - 30

SP - 2497

EP - 2502

JO - Journal of Physics and Chemistry of Solids

JF - Journal of Physics and Chemistry of Solids

SN - 0022-3697

IS - 11

ER -