Digitale Medien
[S.l.]
:
International Union of Crystallography (IUCr)
Acta crystallographica
30 (1974), S. 161-167
ISSN:
1600-5724
Quelle:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Thema:
Chemie und Pharmazie
,
Geologie und Paläontologie
,
Physik
Notizen:
A simple equation is derived from one- and two-particle density matrices in the free-Fermi-gas approximation for obtaining the incoherent intensity of X-rays scattered by an atomic N-electron system. The accuracy of the equation is tested on the Thomas-Fermi-Dirac statistical atomic model. The numerical results are compared with those obtained from the known Heisenberg-Bewilogua function and with the atomic incoherent intensities calculated by D. T. Cromer [J. Chem. Phys. (1967). 47, 1892-1893; (1969). 50, 4857-4859] using complete Waller-Hartree theory and the HF SCF model. The results obtained by the present method from the TFD model are in good agreement with Cromer's data.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1107/S0567739474000362
Permalink
Bibliothek |
Standort |
Signatur |
Band/Heft/Jahr |
Verfügbarkeit |