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
✦ LIBER ✦
Proof of finiteness of Kohn–Sham theory electron interaction potential at the nucleus of atoms
✍ Scribed by Zhixin Qian; Viraht Sahni
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 134 KB
- Volume
- 79
- Category
- Article
- ISSN
- 0020-7608
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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