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On the multiple scattered wave method in the theory of the electronic structure of molecules (taking into account the forces in the “interatomic” region)

✍ Scribed by F.I. Dalidchik


Book ID
107732168
Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
278 KB
Volume
63
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES


Calculation of the electronic structure
✍ I.P. Batra; O. Robaux 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 308 KB

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