Higher-order cusp of the density in certain highly excited states of atoms and molecules

Á Nagy, K. D. Sen

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Abstract

Higher-order cusp relations for the electron density are derived for high-excited atoms, ions and molecules. The spherical average of the wavefunction is zero at a nucleus. The cusp conditions apply rigorously even in the cases with 1>0 orbital density contributions. Thus, the location of the nuclei as well as their identify can be ascertained from the excited state density just like in the ground state.

Original languageEnglish
Pages (from-to)1745-1751
Number of pages7
JournalJournal of Physics B: Atomic, Molecular and Optical Physics
Volume33
Issue number9
DOIs
Publication statusPublished - May 14 2000

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ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics

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