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Binding energies of first row diatomics in the light of the interacting quantum atoms approach
- Source :
- Journal of Physical Chemistry A. Nov 30, 2006, Vol. 110 Issue 47, p12864, 6 p.
- Publication Year :
- 2006
-
Abstract
- The straightforward application of the interacting quantum atoms (IQA)/quantum theory of atoms in molecules (QTAM) approach to the decomposition of the binding energy of first row diatomics into self-and interaction components has provided a complementary new way to rationalize the experimental facts. The ability of the IQA approach to generate sensible atomic self-energies that hide all the important cancellations of the usual energetic terms of quantum chemistry might be used to introduce new complementary ways of understanding the chemical phenomena.
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 110
- Issue :
- 47
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.156517605