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

Michael Schreiber and Thomas Vojta

Mathematics and Computers in Simulation (MATCOM), 2003, vol. 62, issue 3, 243-254

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.

Keywords: Exact diagonalization; Disorder; Electronic correlations (search for similar items in EconPapers)
Date: 2003
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Persistent link: https://EconPapers.repec.org/RePEc:eee:matcom:v:62:y:2003:i:3:p:243-254

DOI: 10.1016/S0378-4754(02)00233-1

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