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Chuck-Hou Yee Update to most recent
Merge branch 'master' of https://github.com/chuckyee/Correlated-Materials-Design
over 7 years ago
Commit id: 879d18a7a2f3ae0e6993605e977f28c3e24f6f68
deletions | additions
diff --git a/correlations.tex b/correlations.tex
index d872d11..b58ab7c 100644
--- a/correlations.tex
+++ b/correlations.tex
...
\hline
Method & $\Sigma-\Sigma_\text{KS}$ & Description \\
\hline
LDA+U &
const $\Sigma_0$ & good for magnetic Mott states, over-estimates insulating character \\
LDA+DMFT & $\Sigma(\omega)$ & accurate modeling of $\omega$-dependence captures Mott transition and correlated metals, omits $\vec{k}$-dependence \\
LDA+GW & $\Sigma(\vec{k}, \omega)$ & captures strong $\vec{k}$-dependence, poor treatment of Mott transition \\
\hline
...
a spatial region, which leads to underestimation of band gaps. The static
correlation error describes the poor treatment of spin states, which leads to
an inability to capture the Mott insulating state ubiquitous in strongly
correlated systems.
Confusingly, in solid state physics, the delocalization error is called the static error, while the chemist's static error is called the dynamical error. We use solid state conventions in the following.
Armed with an understanding of methods to treat correlations and their physical
and computational tradeoffs, we proceed to construct a workflow for designing