Temperature-dependent many-body effects on the electronic properties of space-charge layers

1981 ◽  
Vol 23 (12) ◽  
pp. 6832-6835 ◽  
Author(s):  
S. Das Sarma ◽  
B. Vinter
Keyword(s):  
Space Charge ◽  
Electronic Properties ◽  
Many Body ◽  
Temperature Dependent ◽  
Many Body Effects

A LCAO-OO Approach to the Calculation of Electronic Properties of Materials

1997 ◽  
Vol 491 ◽  
Author(s):  
P. Pou ◽  
R. Perez ◽  
J. Ortega ◽  
F. Flores
Keyword(s):  
Electronic Properties ◽  
Correlation Energy ◽  
Many Body ◽  
New Approach ◽  
Exchange Correlation ◽  
Orbital Basis ◽  
Properties Of Materials ◽  
Many Body Effects ◽  
Simple Molecules

ABSTRACTWe present a selfconsistent LCAO approach for describing the electronic properties of materials. This method introduces many-body effects by means of a new approach, whereby a local orbital potential is defined by calculating the exchange-correlation energy as a function of the different orbital occupancies. A LCAO-pseudopotential is also introduced, keeping all the calculations within the context of the local orbital basis. We have applied the method to the calculation of simple molecules and crystals, in both cases we find results that confirm the validity of our approach.

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