The Hartree-Fock Based Diagonalization - an Efficient Algorithm for the Treatment of Interacting Electrons in Disordered Solids
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.
M. Schreiber and T. Vojta, "The Hartree-Fock Based Diagonalization - an Efficient Algorithm for the Treatment of Interacting Electrons in Disordered Solids," Mathematics and Computers in Simulation, vol. 62, no. 3-6, pp. 243-254, Elsevier, Mar 2003.
The definitive version is available at https://doi.org/10.1016/S0378-4754(02)00233-1
MCM (2001: Sep. 10-14, Salzburg, Austria)
Keywords and Phrases
Algorithms; Approximation theory; Computational methods; Hamiltonians; Quantum theory; Solids; Disordered solids; Electrons
International Standard Serial Number (ISSN)
Article - Conference proceedings
© 2003 Elsevier, All rights reserved.
01 Mar 2003