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The Hartree-Fock based diagonalization—an efficient algorithm for the treatment of interacting electrons in disordered solids

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  • Schreiber, Michael
  • Vojta, Thomas

Abstract

The Hartree-Fock based diagonalization (HFD) is a computational method for the investigation of the low-energy properties of correlated electrons in disordered solids. The method is related to the quantum-chemical configuration interaction approach. It consists of diagonalizing the Hamiltonian in a reduced Hilbert space built of the low-energy states of the corresponding disordered Hartree-Fock (HF) Hamiltonian. The properties of the method are discussed for the example of the quantum Coulomb glass, a lattice model of electrons in a random potential interacting via long-range Coulomb interaction. Particular attention is paid to the accuracy of the results as a function of the dimension of the reduced Hilbert space. It is argued that disorder actually helps the approximation.

Suggested Citation

  • Schreiber, Michael & Vojta, Thomas, 2003. "The Hartree-Fock based diagonalization—an efficient algorithm for the treatment of interacting electrons in disordered solids," Mathematics and Computers in Simulation (MATCOM), Elsevier, vol. 62(3), pages 243-254.
    • Handle: RePEc:eee:matcom:v:62:y:2003:i:3:p:243-254
    DOI: 10.1016/S0378-4754(02)00233-1
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