𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Recent applications of the SCF-Xα-SW method to some inorganic systems

✍ Scribed by R. P. Messmer; D. R. Salahub

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
453 KB
Volume
10
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Electronic structure of the azide ion us
Electronic structure of the azide ion using the SCF Xα SW method
✍ C.R. Fischer; P.J. Kemmey; W.G. Klemperer 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 459 KB

The electronic structure of the azide ion is investigated using the SCF Xo scattered wave method. C&~lated ionization energies are compared with values determined by eIectron spectroscopy. Transition state calculations for nS -F ?;z, a0 and og -lr: single electron transitions yield excitation encrgi

New formalism for the SCF-Xα-SW model wi
New formalism for the SCF-Xα-SW model with application to large molecular systems or atomic clusters
✍ Wei Ren; Z. Liu; H. Ho 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 258 KB

A new formalism for the SCF-Xcx-SW model suitable for treatment of some large molecular systems or atomic clusters is presented via the efficient recursive awegate T-matrix algorithms developed recently in electromagnet&. The space is divided into two retions and the original problem is treated as a