Electron localizability indicators from spinor wavefunctions

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Alexey I Baranov1

  • 1Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Strasse 40, 01187, Dresden, Germany.

Journal of Computational Chemistry
|January 18, 2014
PubMed

Keywords:
Coulomb hamiltonianDiracatomic shell structureelectron localizability indicatorspinor wavefunctionszero-order regular approximation calculations

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