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arXiv · 1409.5242

Estimation of correlation energy for excited-states of atoms

M. Hemanadhan·Manoj K. Harbola
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Abstract

The correlation energies of various atoms in their excited-states are estimated by modelling the Coulomb hole following the previous work by Chakravorty and Clementi. The parameter in the model is fixed by making the corresponding Coulomb hole to satisfy the exact constraint of charge neutrality.

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M. Hemanadhan, Manoj K. Harbola. 2014-09-18. Estimation of correlation energy for excited-states of atoms. https://arxiv.org/abs/1409.5242

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