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Application of the DV-Xα cluster method to calculations of the electronic structure of silicate and phosphate glasses

✍ Scribed by Y. Kowada; H. Adachi; M. Tatsumisago; T. Minami


Book ID
115988457
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
214 KB
Volume
150
Category
Article
ISSN
0022-3093

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📜 SIMILAR VOLUMES


Electronic structures of d0 complexes by
✍ Takeshi Mukoyama; Hirohiko Adachi 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 260 KB

The electronic structures of TcOr , RuO,, ReOi and 0~0~ have been studied using the discrete-variational Xcz molecular orbital method. The calculated ordering and the ionization potentials of the valence orbitals are compared with the experimental results.