Relativistic hartree-slater values for K and L X-ray emission rates

Scofield, J. H.

doi:10.1016/s0092-640x(74)80019-7

Cited by 1,024 publications

(433 citation statements)

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“…Oscillator strengths for 2p-3d transitions have been published by Manson and Kennedy [13] and Scofield [14]. We present tables of oscillator strengths not only for 2p-3d transitions for lst row transition elements, but also for 2p-4d transitions for 2nd row transition elements and 3d-4f transitions for rare earth elements.…”

Section: 20r20133280f20130780mentioning

confidence: 88%

The contribution of discrete transitions to integrated inner shell ionisation cross sections

Rez

1992

Microsc. Microanal. Microstruct.

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Abstract. 2014 Previous calculations of inner shell cross sections used in quantitative microanalysis have neglected transitions to discrete states that appear in spectra as white lines. White line are especially prominent in L23 edges from 1st and 2nd row transition elements and M45 edges in rare earth elements. These discrete features can make a substantial contribution to the integrated cross section, especially for small energy windows less than 50 eV In this paper we present results for 2p-3d transitions for 1st and 2nd row transition elements and 3d-4f transitions for rare earth elements, using Dirac Slater wave functions. The effects of different ionisation states are examined and the results compared to experiment.

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Section: 20r20133280f20130780mentioning

confidence: 88%

The contribution of discrete transitions to integrated inner shell ionisation cross sections

Rez

1992

Microsc. Microanal. Microstruct.

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“…The results of relativistic Hartree-Fock relaxed (ASCF) average energy calculations for atomic chlorine (Dyall 1987) and the relaxed orbital relativistic Hartree-Fock transition rate calculations of Scofield (1974b) are also presented. The molecular rate calculations are presented from both the length and velocity forms of the dipole operator (equation (4) (Phillips and Larkins 1986) in those cases where the transition probabilities were small.…”

Section: K Emission Diagram Linesmentioning

confidence: 99%

“…The atomic transition energies are based upon relativistic relaxed Hartree-Fock calculations (Dyall 1987) and the transition rates are from the frozen orbital relativistic Hartree-Slater work of Scofield (1974a …”

Section: Emission Diagram Linesmentioning

confidence: 99%

An ab initio treatment of the X-ray emission spectra of the HCl molecule

Phillips

Larkins

1988

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

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Abstract. Ab initio calculations for the energy and absolute transition rates of x-ray transition processes associated with the hydrogen chloride molecule have been undertaken at the relaxed Hartree-Fock level. Data for K-, L,-and L,,-shell x-ray emission spectra are presented. Comparison with atomic calculations is used to show that the molecular effect is manifested most clearly in transitions involving the 5c bonding molecular orbital. The spectra are, however, dominated by intra-atomic effects. Participator and spectator satellite transitions associated with an initial K-shell hole and a 37r excited valence electron are also considered. The energy and transition rate results for spectator satellites associated with the [ l a ] 3~ resonant excited neutral state are close to those determined for the normal K, and K, processes. The 37r participator satellite is predicted to be at higher photon energy with 10% of the main K, spectator line intensity.

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“…Secondly, matrix elements for absorption and emission processes in molecules include multi-center integrations, which are tedious and require long computing times. Most individual authors indicate that their results favor the Dirac-Hartree-Fock calculations of Scofield (1974a), rather than the significantly lower predictions of the same author's earlier Dirac-Hartree-Slater calculations (Scofield, 1969). Both of these describe the de-excitation of a single K vacancy in a neutral atom.…”

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confidence: 95%