𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Symmetry aspects of diatomics-in-molecules (DIM) calculations: Construction of spin-adapted bases

✍ Scribed by Jan Vojtík


Publisher
John Wiley and Sons
Year
1985
Tongue
English
Weight
529 KB
Volume
28
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


On the use of symmetry-adapted crystalli
✍ C. M. Zicovich-Wilson; R. Dovesi 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 206 KB 👁 2 views

A computational procedure for generating space-symmetry-adapted ## Ž . Bloch functions BF is presented. The case is discussed when BF are built from a basis of Ž w x. local functions atomic orbitals AOs . The method, which is completely general in the sense that it applies to any space group and