An accurate analytical representation for the electron screening function |
| |
| Authors: | Bernard J. Laurenzi Daniel D. Konowalow |
| |
| Affiliation: | Department of Chemistry, State University of New York at Albany, Albany, New York 12222, USA;Department of Chemistry, State University of New York at Binghamton, Binghamton, New York 13901, USA |
| |
| Abstract: | The screening function Φ [ = Vee(R) - Vee(∞)], a key quantity in the theory of isoelectronic molecules, has been given an accurate analytical representation for a large number of states of the species Na2, Na2+ Li2 and Li2+. The election-electron repulsion Vee at various internuclear distances has been obtained from high-quality MC SCF/SCF wavefunctions. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
