Density functional study of atoms spatially confined inside a hard sphere

  title={Density functional study of atoms spatially confined inside a hard sphere},
  author={Sangita Majumdar and Arpita Roy},
  journal={International Journal of Quantum Chemistry},
An atom placed inside a cavity of finite dimension offers many interesting features, and thus has been a topic of great current activity. This work proposes a density functional approach to pursue both ground and excited states of a multi-electron atom under a spherically impenetrable enclosure. The radial Kohn-Sham (KS) equation has been solved by invoking a physically motivated work-function-based exchange potential, which offers near-Hartree-Fock-quality results. Accurate numerical… 
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