Elastic Electron Scattering Amplitudes for Neutral Atoms Calculated Using the Partial Wave Method at 10, 40, 70, and 100 kV for Z = 1 to Z = 54
- 15 October 1967
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 47 (8) , 2599-2608
- https://doi.org/10.1063/1.1712276
Abstract
Elastic electron scattering amplitudes for neutral atoms were calculated using the partial wave expansion method for 10-, 40-, 70-, and 100-kV incident electrons. The partial wave phase shifts were calculated by numerical intergration using the phase amplitude method until the results converged to values obtained using the WKBJ and first Born approxmations, which were then used in the remainder of the partial wave sum. The static potential field of the target atoms was represented by an analytical expression involving a sum of Yukawa terms. Potential field parameters for the expression were obtained by a least-squares fit of the radial electron distribution function, D (r), using Hartree—Fock and relativistic wavefunctions for all the neutral atoms from Z=1 to Z=54. For the smaller atoms from Z=1 to Z=21, Clementi Hartree—Fock wavefunctions were used and for the atoms from Z=22 to 54 Liberman—Waber—Cromer D (r) curves calculated using the Dirac Hamiltonian incorporating a j—j coupling scheme and the Slater ⅔ approximation in the exchange potential were used.Keywords
This publication has 17 references indexed in Scilit:
- Atomic Scattering Factors for Electrons as Calculated by the Partial-Waves MethodThe Journal of Chemical Physics, 1967
- X-Ray Scattering Form Factors with Relativistic Wave FunctionsPhysical Review B, 1966
- Application of a Self-Consistent Scheme Including Exchange and Correlation Effects to AtomsPhysical Review B, 1966
- Statistical Approximation for Exchange in Self-Consistent-Field Calculations of the Ground State of Neutral ArgonPhysical Review B, 1966
- Absolute Wirkungsquerschnitte für Elektronenstreuung um kleine Winkel Experimente zum Gültigkeitsbereich der ersten Bornschen NäherungThe European Physical Journal A, 1966
- Modification to the Newton—Raphson Method for the Fitting of Nonlinear Functions by Least SquaresThe Journal of Chemical Physics, 1963
- Atomic scattering amplitudes for electron diffractionActa Crystallographica, 1954
- Complex Amplitudes for Electron Scattering by AtomsPhysical Review B, 1953
- The Theory of Electron DiffractionPhysical Review B, 1953
- Wave Functions for Large Arguments by the Amplitude-Phase MethodPhysical Review B, 1937