Nodal Structure of the Electronic Wigner Function

Hartmut Schmider, Jens Peder Dahl

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

On the example of several atomic and small molecular systems, the regular behavior of nodal patterns in the electronic one-particle reduced Wigner function is demonstrated. An expression found earlier relates the nodal pattern solely to the dot-product of the position and the momentum vector, if both arguments are large. An argument analogous to the ``bond-oscillatory principle'' for momentum densities links the nuclear framework in a molecule to an additional oscillatory term in momenta parallel to bonds. It is shown that these are visible in the Wigner function in terms of characteristic nodes.
Original languageEnglish
JournalInternational Journal of Quantum Chemistry
Volume60
Pages (from-to)439-452
ISSN0020-7608
Publication statusPublished - 1996

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