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arXiv · 1008.4366

Electron correlation energy in confined two-electron systems

C. L. Wilson·H. E. Montgomery Jr·K. D. Sen·D. C. Thompson
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Abstract

Radial, angular and total correlation energies are calculated for four two-electron systems with atomic numbers Z=0-3 confined within an impenetrable sphere of radius R. We report accurate results for the non-relativistic, restricted Hartree-Fock and radial limit energies over a range of confinement radii from 0.05 - 10 a0. At small R, the correlation energies approach limiting values that are independent of Z while at intermediate R, systems with Z > 1 exhibit a characteristic maximum in the correlation energy resulting from an increase in the angular correlation energy which is offset by a decrease in the radial correlation energy.

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C. L. Wilson, H. E. Montgomery Jr, K. D. Sen, D. C. Thompson. 2010-08-25. Electron correlation energy in confined two-electron systems. https://doi.org/10.1016/j.physleta.2010.08.071

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