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On the formulation of the Hohenberg–Kohn–Sham theory

✍ Scribed by Jaime Keller


Publisher
John Wiley and Sons
Year
1986
Tongue
English
Weight
112 KB
Volume
30
Category
Article
ISSN
0020-7608

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Rigorous formulation of a Kohn and Sham
✍ Andreas K. Theophilou 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 148 KB 👁 1 views

By defining functionals over all states in the Hilbert space, we derive the Ž . Kohn and Sham KS equations for the ground state. Density functionals are defined as an intermediate step and they are restricted to single state representable densities. We do not make any use of the one-to-one correspon