The importance of electronic correlations for the calculation of X-ray and fast electron scattering by Ne(1S)
- 1 October 1972
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 5 (10) , 1965-1974
- https://doi.org/10.1088/0022-3700/5/10/027
Abstract
The elastic, inelastic and total intensities of diffraction for fast electrons, the coherent, incoherent and total scattering for X-rays by the neon atom in its ground state have been studied using the atomic Bethe- Goldstone equations which give about 97.3% of the empirical correlation energy. The results are compared with those obtained with two CI wavefunctions and the Clementi wavefunction which give respectively 85% 53% and 20% of the correlation energy. The authors give also the Hartree- Fock results. It is shown that a properly correlated wavefunction is necessary when one wants to compare carefully the theoretical and experimental scattering intensities.Keywords
This publication has 22 references indexed in Scilit:
- Correlation Energy in Atomic Systems. VI. Comments on the Radial Correlation EnergyThe Journal of Chemical Physics, 1970
- Atomic Form Factor and Incoherent-Scattering Function of the Helium AtomPhysical Review B, 1968
- Effects of Electron Correlation in X-Ray and Electron Diffraction. IV. Approximate Treatment for Many-Electron AtomsThe Journal of Chemical Physics, 1966
- Inelastic Electron Scattering from Atoms at Medium Energies. II. Polarization EffectsThe Journal of Chemical Physics, 1965
- Corrections to the Incoherent Scattering Factors for Electrons and X RaysThe Journal of Chemical Physics, 1965
- Multiple Elastic Intramolecular Scattering in Gas Electron DiffractionThe Journal of Chemical Physics, 1965
- Effects of Electron Correlation in X-Ray and Electron Diffraction. II. Influence of Nuclear Charge in Two-Electron SystemsThe Journal of Chemical Physics, 1965
- Effects of Electron Correlation in X-Ray and Electron DiffractionJournal of the American Chemical Society, 1964
- Measurement of the Atomic Scattering Factor of Ne, Ar, Kr, and XePhysical Review B, 1963
- Correlation Energy for Atomic SystemsThe Journal of Chemical Physics, 1963