# Kinetic energy density for open-shell systems: analysis and development of a novel technique

@article{Priya2022KineticED,
title={Kinetic energy density for open-shell systems: analysis and development of a novel technique},
journal={Molecular Physics},
year={2022}
}
• Published 1 August 2022
• Physics
• Molecular Physics
The quest for an approximate yet accurate kinetic energy density functional is central to the development of orbital-free density functional theory. While a recipe for closed-shell systems has been proposed earlier, we have shown that it cannot be naïvely extended to open-shell atoms. In this present work, we investigated the efﬁcacy of an ad-hoc recipe to compute the kinetic energy densities for open-shell atoms by extending the methodology used for closed-shell systems. We have also analyzed…

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