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Scaling in the correlation energies of two-dimensional artificial atoms.
Odriazola, Alexander; Ervasti, Mikko M; Makkonen, Ilja; Delgado, Alain; González, Augusto; Räsänen, Esa; Harju, Ari.
Afiliación
  • Odriazola A; COMP Centre of Excellence, Department of Applied Physics, Aalto University School of Science, PO Box 11100, FI-00076 AALTO, Espoo, Finland. Department of Physics, Tampere University of Technology, FI-33101 Tampere, Finland. Helsinki Institute of Physics, Aalto University, PO Box 11100, FI-00076 AALTO, Espoo, Finland.
J Phys Condens Matter ; 25(50): 505504, 2013 Dec 18.
Article en En | MEDLINE | ID: mdl-24275597
We find an unexpected scaling in the correlation energy of artificial atoms, i.e., harmonically confined two-dimensional quantum dots. The scaling relation is found through extensive numerical examinations including Hartree-Fock, variational quantum Monte Carlo, density functional, and full configuration interaction calculations. We show that the correlation energy, i.e., the true ground-state total energy minus the Hartree-Fock total energy, follows a simple function of the Coulomb energy, confinement strength and number of electrons. We find an analytic expression for this function, as well as for the correlation energy per particle and for the ratio between the correlation and total energies. Our tests for independent diffusion Monte Carlo and coupled-cluster results for quantum dots-including open-shell data-confirm the generality of the scaling obtained. As the scaling also applies well to ≳100 electrons, our results give interesting prospects for the development of correlation functionals within density functional theory.
Asunto(s)

Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Teoría Cuántica / Método de Montecarlo / Electrones / Modelos Químicos Tipo de estudio: Health_economic_evaluation Idioma: En Revista: J Phys Condens Matter Asunto de la revista: BIOFISICA Año: 2013 Tipo del documento: Article País de afiliación: Finlandia

Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Teoría Cuántica / Método de Montecarlo / Electrones / Modelos Químicos Tipo de estudio: Health_economic_evaluation Idioma: En Revista: J Phys Condens Matter Asunto de la revista: BIOFISICA Año: 2013 Tipo del documento: Article País de afiliación: Finlandia