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Calculation of one-electron properties of diatomic molecules using the SCF-Xα scattered-wave method

✍ Scribed by A.S. Chesnyi; I.A. Topol; N.G. Rambidi

Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
749 KB
Volume
49
Category
Article
ISSN
0301-0104

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It Ius recently been established that physiul realism of the resu!ts can be irnprov-d within the framework of the self-consistent statist&l exctiange multiple scattering wave method if the atomic spheres are allowed to overkp. Here we report that by semi-empirically adjust% the overlap of the atomic