Title of article :
Description of metals based on localized electrons
Author/Authors :
Rassolov، نويسنده , , Vitaly A. and Garashchuk، نويسنده , , Sophya V. and Ratner، نويسنده , , Mark A.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2002
Pages :
7
From page :
219
To page :
225
Abstract :
We study dielectric properties of metallic systems using a modified Pariser-Parr-Pople model in the single determinant approximation. Our model does not invoke extra screening; it describes long-range coulomb interaction exactly and approximates and neglects only the short-range exchange and correlation effects. We show that in metallic systems this long-range coulomb interaction leads to spatial localization of electronic orbitals over several atoms, different from orbital localization on single atoms in Mott insulators. We speculate that such localization is also important for the description of metallic transport properties based on Hartree–Fock or Kohn–Sham density functional theory formalisms.
Journal title :
Chemical Physics Letters
Serial Year :
2002
Journal title :
Chemical Physics Letters
Record number :
1782106
Link To Document :
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