𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Lanczos method for the calculation of finite-temperature quantities in correlated systems

✍ Scribed by Jaklič, J.; Prelovšek, P.

Book ID
118127271
Publisher
The American Physical Society
Year
1994
Tongue
English
Weight
252 KB
Volume
49
Category
Article
ISSN
1098-0121

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Implementation of the finite field pertu
Implementation of the finite field perturbation method in the CRYSTAL program for calculating the dielectric constant of periodic systems
✍ Clovis Darrigan; Michel Rérat; Giuseppe Mallia; Roberto Dovesi 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 246 KB

## Abstract The finite field approach has been implemented in the periodic __ab initio__ CRYSTAL program and been used for calculating the dielectric constants of crystalline LiF and MgO (FCC structure) and BeO (wurtzite structure). To maintain the periodicity along the applied field direction, a “