Self-consistent calculations of the energy bands and bonding properties ofB12C3

1990 ◽  
Vol 42 (2) ◽  
pp. 1394-1403 ◽  
Author(s):  
D. M. Bylander ◽  
Leonard Kleinman ◽  
Seongbok Lee
Keyword(s):  
Energy Bands ◽  
Self Consistent ◽  
Bonding Properties

Erratum: Self-consistent calculations of the energy bands and bonding properties ofB12C3

1993 ◽  
Vol 47 (15) ◽  
pp. 10056-10056 ◽  
Author(s):  
D. M. Bylander ◽  
Leonard Kleinman ◽  
Seongbok Lee
Keyword(s):  
Energy Bands ◽  
Self Consistent ◽  
Bonding Properties

Use of a Lowest Intensity 241Am Compton Spectrometer for the Measurement of Directional Compton Profiles of ZnSe

2006 ◽  
Vol 61 (7-8) ◽  
pp. 364-370 ◽  
Author(s):  
Babu Lal Ahuja ◽  
Narayan Lal Heda
Keyword(s):  
Bond Length ◽  
Theoretical Calculations ◽  
The Other ◽  
Energy Bands ◽  
Electron Momentum ◽  
Atomic Orbitals ◽  
Hartree Fock ◽  
Self Consistent ◽  
Scattering Technique ◽  
Small Disc

In this paper we report on electron momentum densities in ZnSe using Compton scattering technique. For the directional measurements we have employed a newly developed 100 mCi 241Am Compton spectrometer which is based on a small disc source with shortest geometry. For the theoretical calculations we have employed a self-consistent Hartree-Fock linear combination of atomic orbitals (HF-LCAO) approach. It is seen that the anisotropy in the measured Compton profiles is well reproduced by our HF-LCAOcalculation and the other available pseudopotential data. The anisotropy in the Compton profiles is explained in terms of energy bands and bond length. - PACS numbers: 13.60.Fz, 78.70. Ck, 78.70.-g

Self-consistent energy bands and Fermi surface of YZn

1977 ◽  
Vol 7 (7) ◽  
pp. 1229-1244 ◽  
Author(s):  
A Hasegawa ◽  
A Yanase
Keyword(s):  
Fermi Surface ◽  
Energy Bands ◽  
Self Consistent

Self-consistent energy bands and bonding ofNi3Si

1982 ◽  
Vol 25 (2) ◽  
pp. 1090-1095 ◽  
Author(s):  
D. M. Bylander ◽  
Leonard Kleinman ◽  
Kenneth Mednick
Keyword(s):  
Energy Bands ◽  
Self Consistent
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