𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Calculation of the electronic structure of the octahedral clusters in vo by the Xαdiscrete variation method and by the Xαscattered wave method

✍ Scribed by V. A. Gubanov; D. E. Ellis; A. K. Chirkov

Publisher
SP MAIK Nauka/Interperiodica
Year
1977
Tongue
English
Weight
557 KB
Volume
17
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Calculation of the electronic structure
Calculation of the electronic structure of formaldehyde using overlapping spheres in the SCF Xα scattered-wave method
✍ 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