scholarly journals Koopmans-compliant screened exchange potential with correct asymptotic behavior for semiconductors

2020 ◽  
Vol 102 (23) ◽  
Author(s):  
Michael Lorke ◽  
Peter Deák ◽  
Thomas Frauenheim
Keyword(s):  
Asymptotic Behavior ◽  
Exchange Potential ◽  
Screened Exchange

A calculation of the phonon frequencies in sodium

1965 ◽  
Vol 283 (1392) ◽  
pp. 33-49 ◽  
Keyword(s):  
Phonon Scattering ◽  
Effective Interaction ◽  
Harmonic Approximation ◽  
Potential Method ◽  
Exchange Potential ◽  
Hartree Fock ◽  
Screened Exchange ◽  
Effective Attraction ◽  
Comparison Of The Results ◽  
Pseudo Potential

The phonon spectrum of sodium is calculated in the harmonic approximation. The effective interaction between the ions is separated into direct two-body forces between bare ions and effective attraction due to the presence of conduction electrons. Careful treatment of the two-phonon processes includes the calculation of the electron-phonon scattering based on the pseudo-potential method and the screening effects due to the interaction between electrons by the Hartree-Fock approximation with a screened exchange potential. Comparison of the results for sodium with neutron diffraction measurements and a previous calculation by Toya shows good agreement on the whole. It is hoped that this method may be applied to some other metals.

scholarly journals Application of the dielectric-dependent screened exchange potential approach to organic photocell materials

2016 ◽  
Vol 18 (39) ◽  
pp. 27554-27563 ◽  
Author(s):  
Tomomi Shimazaki ◽  
Takahito Nakajima
Keyword(s):  
Organic Molecules ◽  
Exchange Potential ◽  
Potential Approach ◽  
Screened Exchange

This paper discusses the fundamental features of the dielectric-dependent screened exchange potential approach for organic molecules and photocell materials.

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