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Crasemann, B.

Publications and source records attributed to Crasemann, B..

At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Atomic inner-shell transitions

Atomic inner-shell processes have quite different characteristics, in several important aspects, from processes in the optical regime. Energies are large, e.g., the 1s binding energy reaches 100 keV at Z = 87; relativistic and quantum-electrodynamic effects therefore are strong. Radiationless transitions vastly dominate over photon emission in most cases. Isolated inner-shell vacancies have pronounced single-particle character, with correlations generally contributing only approximately 1 eV to the 1s and 2p binding energies; the structure of such systems is thus well tractable by independent-particle self-consistent-field atomic models. For systems containing multiple deep inner-shell vacancies, or for highly stripped ions, the importance of relativistic intermediate coupling and configuration interaction becomes pronounced. Cancellation of the Coulomb interaction can lead to strong manifestations of the Breit interaction in such phenomena as multiplet splitting and hypersatellite X-ray shifts. Unique opportunities arise for the test of theory.

Crasemann, B.↗
NASA NTRS1983

Radiationless transitions to atomic M 1,2,3 shells - Results of relativistic theory

Radiationless transitions filling vacancies in atomic M1, M2, and M3 subshells have been calculated relativistically with Dirac-Hartree-Slater wave functions for ten elements with atomic numbers 67-95. Results are compared with those of nonrelativistic calculations and experiment. Relativistic effects are found to be significant. Limitations of an independent-particle model for the calculation of Coster-Kronig rates are noted.

Chen, M. H.↗
NASA NTRS1983

Relativistic calculation of atomic M-shell ionization by protons

Relativistic plane-wave Born-approximation calculations of cross sections for M-shell ionization of Ho-67, Au-79, U-92 by protons with incident energies from 0.05 to 1 MeV are reported. Dirac-Hartree-Slater wave functions were employed and binding-energy change and Coulomb deflection were taken into account. Associated X-ray production cross sections were also computed. Results are compared with previous theoretical predictions and with experimental data. Definite improvement in the theory has been attained by the use of realistic wave functions and consistent inclusion of the effects of relativity.

Chen, M. H.↗
NASA NTRS1980

Relativistic K-shell Auger rates, level widths, and fluorescence yields

Systematic relativistic (Dirac-Hartree-Slater) calculations of atomic K-shell Auger transition probabilities are reported for 25 elements with Z between 18 and 96, inclusive. K-level Auger widths are found to be enhanced by relativistic effects, while total K-level widths are reduced. Relativistic theoretical K-shell fluorescence yields are in excellent agreement with experiment. Theoretical relative intensities of K-LX Auger transitions in heavy elements, calculated in j-j coupling, agree well with measurements; for low Z, configuration interaction and intermediate coupling must apparently be included.

Chen, M. H.↗
NASA NTRS1980

Relativistic K-LL Auger spectra in the intermediate-coupling scheme with configuration interaction

Theoretical K-LL Auger spectra from relativistic Dirac-Hartree-Slater calculations in intermediate coupling with configuration interaction (ICWCI) are considered. Calculated transition rates for 25 elements with Z between 18 and 96, inclusive, are listed and compare well with experimental data. Relativistic effects are found to be important above Z equal to about 35, and ICWCI is necessary to describe the spectra for Z less than about 60.

Chen, M. H.↗
NASA NTRS1979

L-shell Auger and Coster-Kronig spectra from relativistic theory

The intensities of L-shell Auger and Coster-Kronig transitions in heavy atoms have been calculated relativistically. A detailed comparison is made with measured Auger spectra of Pt and U. The pertinent transition energies were computed from relativistic wave functions with inclusion of the Breit interaction, self-energy, a vacuum-polarization correction, and complete atomic relaxation. Multiplet splitting is found to distribute Auger electrons from certain transitions among several lines. The analysis leads to reassignment of a number of lines in the measured spectra. Lines originally identified as L2-L3Ni in the U spectrum are shown to arise from M4,5 Auger transitions instead.

Chen, M. H.↗
NASA NTRS1979

Relativistic L -shell Auger and Coster-Kronig rates and fluorescence yields

Relativistic calculations of radiationless transition rates to L -subshell vacancy states in selected atoms with Z in the 70-96 range have been performed. The Auger and Coster-Kronig transition probabilities are calculated from perturbation theory, assuming frozen orbitals, in the Dirac-Hartree-Slater approach. Transition rates, fluorescence yields, and Coster-Kronig yields are compared with nonrelativistic theoretical results and with experiment. Relativity is found to affect the L -subshell Auger widths by (10-25)% and individual transition rates to certain j-j configurations by as much as 40% at Z = 80. The widths of L sub i vacancy states and the L sub 2 Coster-Kronig yields f33 from these relativistic calculations agree much better with experiment than earlier nonrelativistic theoretical values.

Chen, M. H.↗
NASA NTRS1979

Atomic electron excitation probabilities during orbital electron capture by the nucleus

Approximate probabilities of electron excitation (shakeup/shakeoff) from various atomic states during nuclear ns electron capture have been calculated in the sudden approximation, using Hartree-Fock wave functions. Total excitation probabilities are much lower than during inner-shell ionization by photons or electrons, and ns states are more likely to be excited than np states. This latter result is borne out by K-alpha X-ray satellite spectra.

Crasemann, B.↗
NASA NTRS1978

Atomic electron correlation in nuclear electron capture

The effect of electron-electron Coulomb correlation on orbital-electron capture by the nucleus has been treated by the multiconfigurational Hartree-Fock approach. The theoretical Be-7 L/K capture ratio is found to be 0.086, and the Ar-37 M/L ratio, 0.102. Both ratios are smaller than the independent-particle predictions. Measurements exist for the Ar M/L ratio, and agreement between theory and experiment is excellent.

Chen, M. H.↗
NASA NTRS1978

Photon-scattering cross sections of H2 and He measured with synchrotron radiation

Total (elastic + inelastic) differential photon-scattering cross sections have been measured for H2 gas and for He, using an X-ray beam. Absolute measured cross sections agree with theory within the probable errors. Relative cross sections (normalized to theory at large S) agree to better than 1% with theoretical values calculated from wave functions that include the effect of electron-electron Coulomb correlation, but the data deviate significantly from theoretical independent-particle (e.g., Hartree-Fock) results. The ratios of measured absolute He cross sections to those of H2, at any given S, also agree to better than 1% with theoretical He-to-H2 cross-section ratios computed from correlated wave functions. It appears that photon scattering constitutes a very promising tool for probing electron correlation in light atoms and molecules. The degree of polarization of the synchrotron radiation beam has been measured by rotating the scattering plane about the beam axis; results are compared with theory.

Ice, G. E.↗
NASA NTRS1978

Atomic electron correlation in nuclear electron capture

The effect of electron-electron Coulomb correlation on orbital electron capture by the nucleus was treated by the multiconfigurational Hartree-Fock approach. The theoretical Be-7 L/K capture ratio was found to be 0.086, and the Ar-37 M/L ratio, 0.102. Both ratios were smaller than the independent particle predictions. Measurements exist for the Ar M/L ratio, and agreement between theory and experiment was excellent.

Chen, M. H.↗
NASA NTRS1978

Exchange and relaxation effects in low-energy radiationless transitions

The effect on low-energy atomic inner-shell Coster-Kronig and super Coster-Kronig transitions that is produced by relaxation and by exchange between the continuum electron and bound electrons was examined and illustrated by specific calculations for transitions that deexcite the 3p vacancy state of Zn. Taking exchange and relaxation into account is found to reduce, but not to eliminate, the discrepancies between theoretical rates and measurements.

Chen, M. H.↗
NASA NTRS1977

Interpretation of the silver L X-ray spectrum

Analysis of the Ag L-series X-ray spectrum has been performed, based on relaxed-orbital relativistic transition-energy calculations. Satellite energies were computed in intermediate coupling. It is found that satellites arising from LN double-hole states generally fall within the natural width of the parent diagram lines. Contrary to previous assumption, the observed high-energy satellites are due to LM double-hole states produced by L1-L3M4,5 Coster-Kronig transitions and by shakeoff. The observed peak structure in the satellite spectrum is due to multiplet splitting of the initial and final double-hole states. Theoretical L1-L3M4,5 transition rates based on the Coster-Kronig energies computed by Chen et al. (1977) are closer to experiment than previous results, but still are too large by a factor of about 2, indicating an as-yet undetected flaw in the theory.

Chen, M. H.↗
NASA NTRS1977

Atomic electron energies including relativistic effects and quantum electrodynamic corrections

Atomic electron energies have been calculated relativistically. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all orbitals in all atoms with 2 less than or equal to Z less than or equal to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. These results will serve for detailed comparison of calculations based on other approaches. The magnitude of quantum electrodynamic corrections is exhibited quantitatively for each state.

Aoyagi, M.↗
NASA NTRS1977

Interpretation of the silver L X-ray spectrum

Silver L X-ray energies were calculated using theoretical binding energies from relaxed orbital relativistic Hartree-Fock-Slater calculations. Theoretical X-ray energies are compared with experimental results.

Chen, M. H.↗
NASA NTRS1976

Neutral-atom electron binding energies from relaxed-orbital relativistic Hartree-Fock-Slater calculations for Z between 2 and 106

Electron binding energies in neutral atoms have been calculated relativistically, with the requirement of complete relaxation. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all elements with atomic numbers ranging from 2 to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. Binding energies including relaxation are listed for all electrons in all atoms over the indicated range of atomic numbers. A self-energy correction is included for the 1s, 2s, and 2p(1/2) levels. Results for selected atoms are compared with energies calculated by other methods and with experimental values.

Huang, K.-N.↗