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A generalized “weighted density” approach in density functional theory

✍ Scribed by J.C. Stoddart; K. Davis


Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
193 KB
Volume
100
Category
Article
ISSN
0375-9601

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General hybrid density functional theory
✍ Garnet Kin-Lic Chan 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 137 KB 👁 1 views

We generalize hybrid density functional theory to finite temperatures. We find that the internal potential generated by the orbital functionals leads to complications in the statistical mechanics of the reference system and the self-consistent procedure to obtain the density.