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This commit is contained in:
Pierre-Francois Loos 2020-02-14 10:53:16 +01:00
parent bbfdbdf315
commit f3b5f49c15
2 changed files with 1103 additions and 452 deletions
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FarDFT.nb
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Manuscript/FarDFT.tex
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@ -628,9 +628,9 @@ At the (ground-state) LDA level (\ie, we only consider ground-state functionals)
\end{subequations} \end{subequations}
with with
\begin{align} \begin{align}
\n{}{(0)}(\br{}) & = 2 \MO{1}{2}(\br{}), \n{}{(0)}(\br{}) & = 2 [\MO{1}{\ew{}}(\br{})]^2,
& &
\n{}{(1)}(\br{}) & = 2 \MO{2}{2}(\br{}), \n{}{(1)}(\br{}) & = 2 [\MO{2}{\ew{}}(\br{})]^2,
\end{align} \end{align}
Note that, contrary to the HF case, self-interaction is present in LDA. Note that, contrary to the HF case, self-interaction is present in LDA.
%The KS orbital energies are given by %The KS orbital energies are given by