Title | Investigation of excitation energies and Hund's rule in open shell quantum dots by diffusion Monte Carlo |
Publication Type | Journal Article |
Year of Publication | 2002 |
Authors | Colletti L, Pederiva F, Lipparini E, Umrigar CJ |
Journal | EUROPEAN PHYSICAL JOURNAL B |
Volume | 27 |
Pagination | 385-392 |
Date Published | Jun |
ISSN | 1434-6028 |
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. |
DOI | 10.1140/epjb/e2002-00169-x |
Investigating Quantum Monte Carlo, Electronic Structure Theory