Confined systems within arbitrary enclosed surfaces

B. L. Burrows*, M. Cohen

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

A new model of electronic confinement in atoms and molecules is presented. This is based on the electronic flux J which is assumed to vanish on some notional bounding surface of arbitrary shape. J is necessarily calculated using an approximate wave-function, whose parameters are chosen to satisfy the required surface conditions. This model embraces the results of all previous calculations for which the wave-functions or their derivatives vanish on conveniently shaped surfaces, but now extends the theory to more general surfaces. Examples include one-centre hydrogen-like atoms, the valence state of Li and the two centre molecular systems and .

Original languageEnglish
Article number125001
JournalJournal of Physics B: Atomic, Molecular and Optical Physics
Volume49
Issue number12
DOIs
StatePublished - 25 May 2016

Bibliographical note

Publisher Copyright:
© 2016 IOP Publishing Ltd.

Keywords

  • atomic and molecular confinement
  • electronic flux
  • valence states

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