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A Simple Local Correlation Energy Functional for Spherically Confined Atoms from ab Initio Correlation Energy Density

Sergei F Vyboishchikov1

  • 1Institut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona, Carrer Maria Aurèlia Capmany, 17003, Girona, Spain.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|September 5, 2017
PubMed

Keywords:
ab initio calculationsconfined atomscorrelation energydensity functional calculationselectron density

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