𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Implementation of the diagonalization-free algorithm in the self-consistent field procedure within the four-component relativistic scheme

✍ Scribed by Hrdá, Marcela; Kulich, Tomáš; Repiský, Michal; Noga, Jozef; Malkina, Olga L.; Malkin, Vladimir G.


Book ID
127346696
Publisher
John Wiley and Sons
Year
2014
Tongue
English
Weight
626 KB
Volume
35
Category
Article
ISSN
0192-8651

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 ⚖ 208 KB 👁 2 views

The use of symmetry-adapted crystalline orbitals SACOs in self- ## Ž . consistent-field SCF schemes for infinite periodic systems is discussed and documented with reference to many examples. The symmetry information generated during the SACOs construction is used to illustrate some particular fea