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A multiconfigurational hybrid density-functional theory

✍ Scribed by Sharkas, Kamal; Savin, Andreas; Jensen, Hans Jo̸rgen Aa.; Toulouse, Julien


Book ID
120243851
Publisher
American Institute of Physics
Year
2012
Tongue
English
Weight
642 KB
Volume
137
Category
Article
ISSN
0021-9606

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📜 SIMILAR VOLUMES


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.

with screened hybrid density functional
✍ El-Mellouhi, Fedwa; Brothers, Edward N.; Lucero, Melissa J.; Scuseria, Gustavo E 📂 Article 📅 2011 🏛 The American Physical Society 🌐 English ⚖ 607 KB