タイトル | The self-consistent calculation of pseudo-molecule energy levels, construction of energy level correlation diagrams and an automated computation system for SCF-X(Alpha)-SW calculations |
本文(外部サイト) | http://hdl.handle.net/2060/19810017243 |
著者(英) | Schlosser, H. |
著者所属(英) | NASA Lewis Research Center |
発行日 | 1981-03-01 |
言語 | eng |
内容記述 | The self consistent calculation of the electronic energy levels of noble gas pseudomolecules formed when a metal surface is bombarded by noble gas ions is discussed along with the construction of energy level correlation diagrams as a function of interatomic spacing. The self consistent field x alpha scattered wave (SCF-Xalpha-SW) method is utilized. Preliminary results on the Ne-Mg system are given. An interactive x alpha programming system, implemented on the LeRC IBM 370 computer, is described in detail. This automated system makes use of special PROCDEFS (procedure definitions) to minimize the data to be entered manually at a remote terminal. Listings of the special PROCDEFS and of typical input data are given. |
NASA分類 | ATOMIC AND MOLECULAR PHYSICS |
レポートNO | 81N25779 E-740 NASA-TM-81710 |
権利 | No Copyright |
URI | https://repository.exst.jaxa.jp/dspace/handle/a-is/168791 |