𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Analytical asymptotic structure of the exchange and correlation potentials at a metal surface

✍ Scribed by Alexander Solomatin; Viraht Sahni

Book ID
107987328
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
581 KB
Volume
212
Category
Article
ISSN
0375-9601

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Analytical Asymptotic Structure of the S
Analytical Asymptotic Structure of the Slater Exchange and Kohn–Sham Exchange and Correlation Potentials at a Metal Surface
✍ Alexander Solomatin; Viraht Sahni 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 393 KB

In this paper we consider the semi-infinite jellium and structureless pseudopotential models of a metal surface and derive the exact analytical asymptotic structure in the classically forbidden region of (i) the Slater exchange potential V s x (r), (ii) the Kohn Sham exchange potential & x (r), and

Structure of the correlation–kinetic com
Structure of the correlation–kinetic component of the Kohn–Sham exchange potential in atoms and at metal surfaces
✍ 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
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