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Comments on the correlation between the Weizsäcker correction and the binding energy of diatomic molecules

Authors :
Deb, B. M.
Chattaraj, P. K.
Source :
Theoretica Chimica Acta; April 1986, Vol. 69 Issue: 3 p259-263, 5p
Publication Year :
1986

Abstract

Using the double-zeta wavefunctions of Snyder and Basch [5], the Weizsäcker correction $$T_w = \tfrac{1}{8}\int d \vec r(\nabla \rho \cdot \nabla \rho )\rho ^{ - 1} $$ has been evaluated for the molecules H<subscript>2</subscript>, HF, BF, N<subscript>2</subscript> and CO. There was no linear correlation between T<subscript>w</subscript> and the binding energy for these molecules.

Details

Language :
English
ISSN :
00405744
Volume :
69
Issue :
3
Database :
Supplemental Index
Journal :
Theoretica Chimica Acta
Publication Type :
Periodical
Accession number :
ejs15514460
Full Text :
https://doi.org/10.1007/BF00526424