𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Exact treatment of exchange in Kohn-Sham band-structure schemes

✍ Scribed by Görling, Andreas


Book ID
125496716
Publisher
The American Physical Society
Year
1996
Tongue
English
Weight
136 KB
Volume
53
Category
Article
ISSN
1098-0121

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Structure of the correlation–kinetic com
✍ Alexander Solomatin; Viraht Sahni 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 296 KB 👁 1 views

The Kohn᎐Sham density functional theory ''exchange'' potential v r s x KS w x Ž . KS w x ␦E r␦ r , where E is the ''exchange'' energy functional, is composed of a x x component representative of Pauli correlations and one that constitutes part of the KS Ž . correlation contribution to the kinetic en

Analytical asymptotic structure of the P
✍ Zhixin Qian; Viraht Sahni 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 300 KB 👁 2 views

In this article, we derive the analytical asymptotic structure in the Ž . classically forbidden region of atoms of the Kohn᎐Sham KS theory exchange᎐correlation Ž . KS w x Ž . KS w x potential defined as the functional derivative r s ␦ E r␦ r , where E is xc xc xc Ž . the KS exchange᎐correlation ene