@misc{10481/91746,
year = {2024},
month = {2},
url = {https://hdl.handle.net/10481/91746},
abstract = {In this article, we study the helium atom confined in a spherical impenetrable cavity
by using informational measures. We use the Ritz variational method to obtain the
energies and wave functions of the confined helium atom as a function of the cavity
radius r0. As trial wave functions we use one uncorrelated function and five explicitly
correlated basis sets in Hylleraas coordinates with different degrees of electronic correlation.
We computed the Shannon entropy, Fisher information, Kullback–Leibler
entropy, Tsallis entropy, disequilibrium and Fisher–Shannon complexity, as a function
of r0. We found that these entropic measures are sensitive to electronic correlation
and can be used to measure it. As expected these entropic measures are less sensitive
to electron correlation in the strong confinement regime (r0 < 1 a.u.).},
organization = {Spanish projects
PID2020-113390GB-I00 (MICIN), PY20-00082 (ERDF-Junta de Andalucía), and A-FQM-52-UGR20 (ERDF-University of Granada)},
publisher = {John Wiley & Sons},
keywords = {Confined helium atom},
keywords = {Disequilibrium},
keywords = {Fisher information},
title = {The confined helium atom: An information–theoretic approach},
doi = {10.1002/qua.27358},
author = {Estañón, C. R. and Montgomery Jr., H. E. and Angulo Ibáñez, Juan Carlos and Aquino, Norberto},
}