Investigation of excitation energies and Hund's rule in open shell quantum dots by diffusion Monte Carlo

TitleInvestigation of excitation energies and Hund's rule in open shell quantum dots by diffusion Monte Carlo
Publication TypeJournal Article
Year of Publication2002
AuthorsColletti L, Pederiva F, Lipparini E, Umrigar CJ
JournalEUROPEAN PHYSICAL JOURNAL B
Volume27
Pagination385-392
Date PublishedJun
ISSN1434-6028
Abstract

We use diffusion Monte Carlo to study the ground state, the low-lying excitation spectrum and the spin densities of circular quantum dots with parabolic radial potentials containing N = 16 and N = 24 electrons, each having four open-shell electrons and compare the results to those obtained from Hartree-Fock (HF) and density functional local spin density approximation (LSDA) calculations. We find that Hund's first rule is obeyed in both cases and that neither HF nor LSDA correctly predict the ordering of the energy levels.

DOI10.1140/epjb/e2002-00169-x