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Calculation of the one-electron properties of diatomic molecules in the overlapping atomic sphere approximation of the SCF-Xα scattered-wave method

✍ Scribed by A. S. Chesnyi; I. A. Topol'; S. L. Bazhenov


Book ID
112356654
Publisher
Springer
Year
1980
Tongue
English
Weight
906 KB
Volume
16
Category
Article
ISSN
0040-5760

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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