X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=posic%2Fthesis%2Fd_tersoff.tex;h=66abaed4244eb2f648ab13ae766c57ab2b0f09cd;hp=c01a65eaf34d207e955e3b23b4f2275909113b85;hb=5ddcac8e0e73d86f761b20d37efcd66ce41c7f08;hpb=d7af67ebc9c3aa38d0838417f3a2079961cf8652 diff --git a/posic/thesis/d_tersoff.tex b/posic/thesis/d_tersoff.tex index c01a65e..66abaed 100644 --- a/posic/thesis/d_tersoff.tex +++ b/posic/thesis/d_tersoff.tex @@ -3,7 +3,7 @@ \section{Form of the Tersoff potential and its derivative} -The Tersoff potential \cite{tersoff_m} is of the form +The Tersoff potential~\cite{tersoff_m} is of the form \begin{eqnarray} E & = & \sum_i E_i = \frac{1}{2} \sum_{i \ne j} V_{ij} \textrm{ ,} \\ V_{ij} & = & f_C(r_{ij}) [ f_R(r_{ij}) + b_{ij} f_A(r_{ij}) ] \textrm{ .} @@ -185,7 +185,7 @@ Concerning $b_{ij}$, in addition to the angular term, the derivative of the cut- \subsection{Code realization} -The implementation of the force evaluation shown in the following is applied to the potential designed by Erhart and Albe \cite{albe_sic_pot}. +The implementation of the force evaluation shown in the following is applied to the potential designed by Erhart and Albe~\cite{albe_sic_pot}. There are slight differences compared to the original potential by Tersoff: \begin{itemize} \item Difference in sign of the attractive part.