The Removal of the Muffin-Tin Approximation and Use of Self-Consistent-Field Electron Densities for Calculating the K -Edge X-Ray Absorption Near-Edge Structure of Chlorine

1995 ◽  
Vol 29 (8) ◽  
pp. 647-652 ◽  
Author(s):  
D. L Foulis ◽  
R. F Pettifer ◽  
P Sherwood
Keyword(s):  
Use Of Self ◽  
Electron Densities ◽  
Edge Structure ◽  
X Ray ◽  
Consistent Field ◽  
Field Electron ◽  
Self Consistent ◽  
Self Consistent Field ◽  
X Ray Absorption

Self-Consistent Field Calculations of X-Ray Emission Spectra of Surface Adsorbates and Polymers

1997 ◽  
Vol 7 (C2) ◽  
pp. C2-515-C2-516
Author(s):  
H. Agren ◽  
L. G.M. Pettersson ◽  
V. Carravetta ◽  
Y. Luo ◽  
L. Yang ◽  
...  
Keyword(s):  
Emission Spectra ◽  
X Ray ◽  
Consistent Field ◽  
Self Consistent ◽  
Surface Adsorbates ◽  
Self Consistent Field

SCATTERING FACTORS FOR SOME OF THE HEAVIER ATOMS

1959 ◽  
Vol 37 (9) ◽  
pp. 967-969 ◽  
Author(s):  
Beatrice H. Worsley
Keyword(s):  
Wave Functions ◽  
Radial Wave ◽  
X Ray ◽  
University Of Toronto ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Atomic Scattering ◽  
Approximate Wave ◽  
The University

A program for calculating X-ray atomic scattering factors from the radial wave functions has been written for the IBM 650 installation at the University of Toronto. It has been applied to the results of self-consistent field calculations previously performed at this University on the FERUT computer. Results are given for Ne, V++, Kr, Ag+, and Pb+++. The results for Ne and V++ are compared with those calculated by Freeman using Allen's wave functions for Ne and Hartree's approximate wave functions for V++.

scholarly journals Optimizing self-consistent field theory block copolymer models with X-ray metrology

2018 ◽  
Vol 3 (2) ◽  
pp. 376-389 ◽  
Author(s):  
Adam F. Hannon ◽  
Daniel F. Sunday ◽  
Alec Bowen ◽  
Gurdaman Khaira ◽  
Jiaxing Ren ◽  
...  
Keyword(s):  
Field Theory ◽  
Block Copolymer ◽  
X Ray ◽  
X Ray Scattering ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory ◽  
Ray Scattering

Self-consistent field theory is optimized through comparisons with X-ray scattering metrology.

Calculation of Electron Shake-Off for Elements fromZ=2to 92 with the Use of Self-Consistent-Field Wave Functions

1968 ◽  
Vol 169 (1) ◽  
pp. 27-36 ◽  
Author(s):  
Thomas A. Carlson ◽  
C. W. Nestor ◽  
Thomas C. Tucker ◽  
F. B. Malik
Keyword(s):  
Wave Functions ◽  
Use Of Self ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Field Wave

Self-consistent field calculations of X-ray emission spectra of surface adsorbates: COCu(100)

1996 ◽  
Vol 369 (1-3) ◽  
pp. 146-158 ◽  
Author(s):  
Vincenzo Carravetta ◽  
Lars G.M. Pettersson ◽  
Olav Vahtras ◽  
Hans Ågren
Keyword(s):  
Emission Spectra ◽  
X Ray ◽  
Consistent Field ◽  
Self Consistent ◽  
Surface Adsorbates ◽  
Self Consistent Field

Self-Consistent Field and Some X-Ray Terms of the Sodium Atom

1934 ◽  
Vol 46 (12) ◽  
pp. 1034-1040 ◽  
Author(s):  
E. H. Kennard ◽  
E. Ramberg
Keyword(s):  
Sodium Atom ◽  
X Ray ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field
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