Reconstruction of the electron momentum density distribution by the Maximum Entropy Method

Author(s):  
L. Dobrzyński ◽  
A. Holas
2010 ◽  
Vol 666 ◽  
pp. 151-154
Author(s):  
M. Pylak ◽  
Ludwik Dobrzyński ◽  
G. Kontrym-Sznajd

Novel application of Maximum Entropy method to the reconstruction of electron momentum density distribution from line projections is presented. Our new algorithm is applied to two dimensional angular correlation of annihilation radiation data in Gd. Reconstructed densities are in very good agreement with corresponding densities reconstructed by Cormack’s method.


Author(s):  
Ch. Bellin ◽  
L. Dobrzynski ◽  
H. Kouba ◽  
G. Loupias ◽  
T. Buslaps ◽  
...  

New cobalt disilicide high resolution Compton scattering measurements have been performed at ESRF (European Synchrotron radiation facility) in France. In a first step, experimental results are compared with calculated results, obtained from a self consistent linear muffin tin orbitals band structure calculations. The second step consists in studying three dimensional electron momentum density (EMD) distribution – 3D map – in CoSi


2011 ◽  
Vol 19 (5) ◽  
pp. 666-670 ◽  
Author(s):  
G. Sharma ◽  
V. Sharma ◽  
M.C. Mishra ◽  
M.S. Dhaka ◽  
B.K. Sharma

2018 ◽  
Vol 551 ◽  
pp. 472-475 ◽  
Author(s):  
Yoshihisa Ishikawa ◽  
Junrong Zhang ◽  
Ryoji Kiyanagi ◽  
Masao Yonemura ◽  
Takeshi Matsukawa ◽  
...  

1991 ◽  
Vol 35 (A) ◽  
pp. 77-83 ◽  
Author(s):  
Makoto Sakata ◽  
Masaki Takata ◽  
Yoshiki Kubota ◽  
Tatsuya Uno ◽  
Shintaro Kuhazawa ◽  
...  

AbstractThe electron density distribution maps for CaF2 and TiO2 (rutile) were obtained from profile fitting of powder diffraction data by a Maximum Entropy Method (MEM) analysis. The resultant electron density maps show clearly the nature of the chemical bonding. In order to interpret the results, the nuclear density distribution was also obtained for rutile from powder neutron diffraction data. In the electron density map for rutile obtained by HEM analysis from the X-ray data, both apical and equatorial bonding can be seen. On the other hand, the nuclear density of rutile Is very simple and shows the thermal vibration of nuclei.


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