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

被引:18
作者
Colletti, L [1 ]
Pederiva, F
Lipparini, E
Umrigar, CJ
机构
[1] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA
[2] Univ Trent, Dipartimento Fis, I-38050 Trento, Italy
[3] Univ Trent, INFM, I-38050 Trento, Italy
[4] Cornell Univ, Ctr Theory, Ithaca, NY 14853 USA
关键词
D O I
10.1140/epjb/e2002-00169-x
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
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.
引用
收藏
页码:385 / 392
页数:8
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