2005/11/30 by Ramin M. Abolfath, Pawel Hawrylak · 1 citation
Chemistry · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Configuration interaction #Electron #Excited state #Full configuration interaction #Ground state #Quantum and electron transport phenomena #Quantum dot #Semiconductor Quantum Structures and Devices #Space (punctuation) #Wave function #cond-mat.mes-hall
paper · pdf · doi:10.1063/1.2219447
published as Journal of Chemical Physics 125, 034707 (2006) · 8 pages, 12 figures
openalex publication_date 2006/07/20 · arxiv created 2006/07/27 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
We present unrestricted Hartree-Fock method coupled with configuration interaction (CI) method (URHF-CI) suitable for the calculation of ground and excited states of large number of electrons localized by complex gate potentials in quasi-two-dimensional quantum dot molecules. The method employs real space finite difference method, incorporating strong magnetic field, for calculating single particle states. The Hartree-Fock method is employed for the calculation of direct and exchange interaction contributions to the ground state energy. The effects of correlations are included in energies and directly in the many-particle wave functions via CI method using a limited set of excitations above the Fermi level. The URHF-CI method and its performance are illustrated on the example of ten electrons confined in a two-dimensional quantum dot molecule.