Self-Consistent Hartree-Fock Calculation of the Dielectric Function of an Electron Gas

1971 ◽  
Vol 3 (1) ◽  
pp. 87-91 ◽  
Author(s):  
James W. F. Woo ◽  
Sudhanshu S. Jha
Keyword(s):  
Dielectric Function ◽  
Electron Gas ◽  
Hartree Fock ◽  
Self Consistent

The band structure of aluminium III. A self-consistent calculation

1957 ◽  
Vol 240 (1222) ◽  
pp. 361-374 ◽  
Keyword(s):  
Band Structure ◽  
Electron Gas ◽  
Careful Consideration ◽  
Correlation Effects ◽  
Conduction Electrons ◽  
Hartree Fock ◽  
Exchange Effects ◽  
Self Consistent ◽  
Core Electrons ◽  
Self Consistency

The main feature of the present recalculation of the band structure is a careful consideration of the potential on which it is based. An effective potential acting on a conduction electron is defined intuitively so as to include the effects of correlation and exchange. This grafts the Bohm & Pines theory of a free-electron gas (Pines 1955) on to the Hartree—Fock treatment of the effect of the ion cores. Correlation and exchange effects among the conduction and ion-core electrons have been calculated, and the variation of the potential in the regions about half-way between the atoms has also been calculated and taken into account. Achieving self-consistency in the contribution to the potential due to the conduction electrons has not been difficult. Because of various approximations, including those in the potential, the calculated energy values are judged to be correct to about 0·03 Ry. The results are found to agree satisfactorily with the model of the band structure obtained in I by noting that the effective Fermi level for electrons and holes in the band structure may not be the same due to additional correlation effects.

scholarly journals RENORMALIZED LANDAU LEVELS AND PARTICLE-HOLE SYMMETRY IN GRAPHENE

2009 ◽  
Vol 23 (12n13) ◽  
pp. 2634-2640 ◽  
Author(s):  
YAFIS BARLAS ◽  
WEI-CHENG LEE ◽  
KENTATO NOMURA ◽  
ALLAN H. MACDONALD
Keyword(s):  
Magnetic Field ◽  
Band Structure ◽  
Landau Level ◽  
Continuum Model ◽  
Electron Gas ◽  
Landau Levels ◽  
Regularization Procedure ◽  
Hartree Fock ◽  
Symmetry Properties ◽  
Self Consistent

In this proceedings paper we report on a calculation of graphene's Landau levels in a magnetic field. Our calculations are based on a self-consistent Hartree-Fock approximation for graphene's massless-Dirac continuum model. We find that because of graphene's chiral band structure interactions not only shift Landau-level energies, as in a non-relativistic electron gas, but also alter Landau level wavefunctions. We comment on the subtle continuum model regularization procedure necessary to correctly maintain the lattice-model's particle hole symmetry properties.

Self-consistent tensor effects on nuclear matter systems within a relativistic Hartree-Fock approach

2015 ◽  
Vol 91 (2) ◽  
Author(s):  
Li Juan Jiang ◽  
Shen Yang ◽  
Jian Min Dong ◽  
Wen Hui Long
Keyword(s):  
Nuclear Matter ◽  
Hartree Fock ◽  
Self Consistent

Correlation in the Ground State of He Atom

1981 ◽  
Vol 36 (3) ◽  
pp. 272-275 ◽  
Author(s):  
Subal Chandra Saha ◽  
Sankar Sengupta
Keyword(s):  
Ground State ◽  
Zero Order ◽  
Consistent Variation ◽  
Hartree Fock ◽  
Perturbation Procedure ◽  
Self Consistent ◽  
He Atom ◽  
Atomic Parameters

It is possible to reproduce the entire results of Pekeris et al. of different atomic parameters for the He atom by introducing (ll) type correlation in a self consistent variation perturbation procedure using the Hartree-Fock (HF) wavefunction as the zero-order wavefunction

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

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