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 language | English |
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Journal | International Journal of Quantum Chemistry |
Volume | 60 |
Issue number | 1 |
Pages (from-to) | 439-452 |
ISSN | 0020-7608 |
DOIs | |
Publication status | Published - 1996 |