General hybrid density functional theory
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Garnet Kin-Lic Chan
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Article
📅
1998
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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.