𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Electronic structure and related properties of ferrocyanide ion calculated by the SCF Xα-scattered wave method

✍ Scribed by D. Guenzburger; B. Maffeo; M.L. De Siqueira


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
549 KB
Volume
38
Category
Article
ISSN
0022-3697

No coin nor oath required. For personal study only.


📜 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

X-ray photoelectron, X-ray emission and
✍ J.A. Tossell; D.J. Vaughan; K.H. Johnson 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 529 KB

## Photoionization, X-ray emission and UV excitation energies are calculated for SiOa by the SCF Xcc method and the transition-state procedure. In all cases agreement between calculation and experiment is good. The SiOz-cluster is found to be adequntc for describing localized excitations in quartz