A multi-domain weighted residual method for the one-electron Schrödinger equation: Application to H+2
The Schrödinger equation is solved for a single electron moving in the coulombic field of some arbitrary configuration of nuclei. Space is partitioned by centering a sphere on each of the individual nuclei without any overlap or touching of the spheres, i.e., muffin-tin spheres. All regions are trea...
Gespeichert in:
| Veröffentlicht in: | The Journal of chemical physics 1996-06, Vol.104 (24), p.9897-9907 |
|---|---|
| 1. Verfasser: | |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
Schreiben Sie den ersten Kommentar!