From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Sun, 13 Jun 2010 14:21:55 +0000 (+0200)
Subject: still dft, sec checkin
X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=f9465130d3e796c6cf3a381b62285c281704b7ab;p=lectures%2Flatex.git

still dft, sec checkin
---

diff --git a/posic/talks/seminar_2010.tex b/posic/talks/seminar_2010.tex
index 81a6c57..58369fa 100644
--- a/posic/talks/seminar_2010.tex
+++ b/posic/talks/seminar_2010.tex
@@ -486,7 +486,28 @@ Thermal conductivity [W/cmK] & 5.0 & 4.9 & 4.9 & 1.5 & 1.3 & 22 \\
  }
 
  \small
- 
+
+ Ingredients
+ \begin{itemize}
+  \item Hohenberg-Kohn (HK) theorem
+  \item \underline{Born-Oppenheimer}
+        - $N$ moving electrons in an external potential of static nuclei\\
+\[
+H\Psi = \left[-\sum_i^N \frac{\hbar^2}{2m}\nabla_i^2
+              +\sum_i^N V_{\text{ext}}(r_i)
+              +\sum_{i<j}^N V_{e-e}(r_i,r_j)\right]\Psi=E\Psi
+\]
+  \item \underline{Effective potential}
+        - replace electrostatic potential by an average over e$^-$ positions\\
+\[
+V_{\text{eff}}=...
+\]
+  \item Exchange correlation (EC) LDA / GGA
+  \item Self-consistent solution
+  \item Plane wave basis set
+  \item Pseudo potential
+ \end{itemize}
+
 \end{slide}