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.
|Number of pages||7|
|Journal||Journal of Physics B: Atomic, Molecular and Optical Physics|
|Publication status||Published - May 14 2000|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics