sic review started ...

[lectures/latex.git] / posic / thesis / basics.tex

diff --git a/posic/thesis/basics.tex b/posic/thesis/basics.tex
index 75dd18b..ac43367 100644 (file)
--- a/posic/thesis/basics.tex
+++ b/posic/thesis/basics.tex
@@ -165,6 +165,7 @@ f_C(r_{ij}) = \left\{
     \frac{1}{2} + \frac{1}{2} \cos \Big[ \pi (r_{ij} - R_{ij})/(S_{ij} - R_{ij}) \Big], & R_{ij} < r_{ij} < S_{ij} \\
     0, & r_{ij} > S_{ij}
   \end{array} \right.
+\label{eq:basics:fc}
 \end{equation}
 
 The function $b_{ij}$ represents a measure of the bond order, monotonically decreasing with the coordination of atoms $i$ and $j$.
@@ -202,11 +203,21 @@ Erhart-Albe potential ...
 \section{Denstiy functional theory}
 \label{section:dft}
 
+\subsection{Hohenberg-Kohn theorem}
+
 \subsection{Born-Oppenheimer (adiabatic) approximation}
 
-\subsection{Hohenberg-Kohn theorem}
+\subsection{Effective potential}
 
-\subsection{Exchange correlation}
+\subsection{Kohn-Sham system}
+
+\subsection{Approximations for exchange and correlation}
 
 \subsection{Pseudopotentials}
 
+\section{Modeling of defects}
+\label{section:basics:defects}
+
+\section{Migration paths and diffusion barriers}
+\label{section:basics:migration}
+