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arxiv: 1004.1200 · v3 · pith:ESTGJDDMnew · submitted 2010-04-07 · ❄️ cond-mat.other · cond-mat.str-el· physics.chem-ph· physics.comp-ph

Correlation energy of two electrons in a ball

classification ❄️ cond-mat.other cond-mat.str-elphysics.chem-phphysics.comp-ph
keywords energycorrelationballdeltaelectronsexactaccuratebasis
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We study the ground-state correlation energy $E_{\rm c}$ of two electrons of opposite spin confined within a $D$-dimensional ball ($D \ge 2$) of radius $R$. In the high-density regime, we report accurate results for the exact and restricted Hartree-Fock energy, using a Hylleraas-type expansion for the former and a simple polynomial basis set for the latter. By investigating the exact limiting correlation energy $E_{\rm c}^{(0)} = \lim_{R \to 0} \Ec$ for various values of $D$, we test our recent conjecture [J. Chem. Phys. {\bf 131} (2009) 241101] that, in the large-$D$ limit, $E_{\rm c}^{(0)} \sim -\delta^2/8$ for any spherically-symmetric confining external potential, where $\delta=1/(D-1)$.

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