ISSN:
1434-6079
Keywords:
31.20.Di
;
31.20.Ej
;
31.90.+s
;
36.40.+d
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract The equilibrium geometries of Na n F n and Na n F n−1 are optimized forn=2, 3, 4 at the SCF level. The Na n F n molecules appear as formed by Na+ and F− ions. The paper studies the localization of the excess electron in the Na n F n−1 molecules. Na n F n−1 is obtained by removing from Na n F n a fluorine atom, and the excess electron takes the place of this lacking center, and allows a weak bond between the neighbouring Na atoms. Secondary minimum geometries, for which the excess electron has no defined place, are also studied.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01436708
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