Electronic wave functions near coalescence points
Abstract
The behavior of many-electron wave functions near points where the positions of the some of the electrons coincide or where they coincide with positions of nuclei is investigated. A representation theorem for many-electron functions near such points is given extending previous results of Kato (cusp conditions) and Hoffmann-Ostenhof and Seiler. Furthermore, the influence of the Pauli principle on the local behavior of fermionic wave functions near many-particle coalescence points is studied.
- Publication:
-
Physical Review Letters
- Pub Date:
- June 1992
- DOI:
- 10.1103/PhysRevLett.68.3857
- Bibcode:
- 1992PhRvL..68.3857H
- Keywords:
-
- 31.10.+z;
- 02.30.+g;
- 03.65.Ge;
- Theory of electronic structure electronic transitions and chemical binding;
- Solutions of wave equations: bound states