𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Some questions on the exchange contribution to the effective potential of the Kohn–Sham theory

✍ Scribed by Federico Moscardó; A. J. Pérez-Jiménez; J. C. Sancho-García

Publisher
Springer
Year
2009
Tongue
English
Weight
370 KB
Volume
123
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Structure of the optimized effective Koh
Structure of the optimized effective Kohn—Sham exchange potential and its gradient approximations
✍ Oleg Gritsenko; Robert van Leeuwen; Evert Jan Baerends 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 880 KB

An analysis of the structure of the optimized effective Kohr-Sham exchange potential v, and its gradient approximations is presented. The potential is decomposed into the Slater potential us and the response of us to density variations, vresp. The latter exhibits peaks that reflect the atomic shell

Analytical asymptotic structure of the P
Analytical asymptotic structure of the Pauli, Coulomb, and correlation–kinetic components of the Kohn–Sham theory exchange–correlation potential in atoms
✍ 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