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Quantum Chemistry

Coulomb Correlation and Information Entropies in Confined Helium-Like Atoms

arXiv
Authors: Wallas S. Nascimento, Marcos M. de Almeida, Frederico V. Prudente

Year

2020

Paper ID

19094

Status

Preprint

Abstract Read

~2 min

Abstract Words

115

Citations

N/A

Abstract

The present work studies aspects of the electronic correlation in confined H-, He and Li^+ atoms in their ground states using the informational entropies. In this way, different variational wavefunctions are employed in order of better take account of Coulomb correlation. The obtained values for the Sr, Sp and St entropies are sensitive in relation to Coulomb correlation effects. In the strong confinement regime, the effects of the Coulomb correlation are negligible and the employment of the models of independent particle and two non-interacting electrons confined by a impenetrable spherical cage gains importance in this regime. Lastly, energy values are obtained in good agreement with the results available in the literature.

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  • The present work studies aspects of the electronic correlation in confined H^-, He and Li^+ atoms in their ground states using the informational entropies.

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References & Citation Signals

[1] DOI https://doi.org/arXiv:2011.11100 [2] arXiv https://arxiv.org/abs/2011.11100 [3] Publisher https://arxiv.org/abs/2011.11100

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