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Journal ArticleDOI

The ground state of harmonium

Jerzy Cioslowski, +1 more
- 02 Nov 2000 - 
- Vol. 113, Iss: 19, pp 8434-8443
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TLDR
A detailed analysis of the ground state of the harmonium atom as a function of the confinement strength ω and quantifies the domains of the weakly and strongly correlated regimes in this system is presented in this article.
Abstract
A detailed analysis that benefits from a slate of new approximate numerical and exact asymptotic results produces highly accurate properties of the ground state of the harmonium atom as functions of the confinement strength ω and quantifies the domains of the weakly and strongly correlated regimes in this system. The former regime, which encompasses the values of ω greater than ωcrit≈4.011 624×10−2, is characterized by the one-electron density ρ(ω;r1) with a global maximum at r1=0. In contrast, the harmonium atom within the latter regime, which corresponds to ω<ωcrit, differs fundamentally from both its weakly correlated counterpart and Coulombic systems. Resembling a Wigner crystal of a homogeneous electron gas, it possesses a radially localized pair of angularly correlated electrons that gives rise to ρ(ω;r1) with a “fat attractor” composed of a cage critical point and a (1, −1) critical sphere. Allowing for a continuous variation in ω, the new compact representation of the ground-state wave function an...

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Citations
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Reduced Density Matrix Functional Theory (RDMFT) and Linear Response Time-Dependent RDMFT (TD-RDMFT).

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TL;DR: In this paper, the spectrum, the electron density distribution and the character of three two-electron quantum systems were studied for different confinement strengths, ω, by using the quantum chemical configuration interaction (CI) method employing a Cartesian anisotropic Gaussian basis set supplemented by a quantum chemical standard Cartesian Gaussian base set, respectively, and a full CI wavefunction.
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Density functional theory for strongly-interacting electrons: perspectives for physics and chemistry.

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References
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Book

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Journal ArticleDOI

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Journal ArticleDOI

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Journal ArticleDOI

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