lectures 1 2021
1229
2021/Lecture_1/ISTPC_Loos_1.tex
Normal file
BIN
2021/Lecture_1/fig/Be.pdf
Normal file
BIN
2021/Lecture_1/fig/C.png
Normal file
After Width: | Height: | Size: 75 KiB |
BIN
2021/Lecture_1/fig/CNRS.png
Executable file
After Width: | Height: | Size: 121 KiB |
BIN
2021/Lecture_1/fig/Cramer.jpg
Normal file
After Width: | Height: | Size: 30 KiB |
BIN
2021/Lecture_1/fig/Diagrams-CCD.png
Normal file
After Width: | Height: | Size: 138 KiB |
BIN
2021/Lecture_1/fig/ERC.jpg
Normal file
After Width: | Height: | Size: 56 KiB |
BIN
2021/Lecture_1/fig/Helgaker.jpg
Normal file
After Width: | Height: | Size: 101 KiB |
BIN
2021/Lecture_1/fig/Jensen.jpg
Normal file
After Width: | Height: | Size: 30 KiB |
BIN
2021/Lecture_1/fig/LCPQ.pdf
Normal file
BIN
2021/Lecture_1/fig/MP2.png
Normal file
After Width: | Height: | Size: 134 KiB |
BIN
2021/Lecture_1/fig/SBG.png
Normal file
After Width: | Height: | Size: 126 KiB |
BIN
2021/Lecture_1/fig/Szabo.jpg
Normal file
After Width: | Height: | Size: 3.0 MiB |
BIN
2021/Lecture_1/fig/UPS.pdf
Normal file
BIN
2021/Lecture_1/fig/basis.png
Normal file
After Width: | Height: | Size: 516 KiB |
BIN
2021/Lecture_1/fig/peppa.jpeg
Normal file
After Width: | Height: | Size: 11 KiB |
182
2021/Lecture_2/ISTPC_Loos_2.tex
Normal file
@ -0,0 +1,182 @@
|
||||
\documentclass[aspectratio=169,9pt]{beamer}
|
||||
% ***********
|
||||
% * PACKAGE *
|
||||
% ***********
|
||||
\usepackage{amsmath,amssymb,amsfonts,pgfpages,graphicx,subfigure,xcolor,bm,multirow,microtype,wasysym,multimedia,hyperref,tabularx,amscd,pgfgantt,mhchem}
|
||||
\usetikzlibrary{shapes.gates.logic.US,trees,positioning,arrows}
|
||||
\usetheme{Pittsburgh}
|
||||
\usecolortheme{seahorse}
|
||||
\usepackage{mathpazo,libertine}
|
||||
|
||||
\usepackage{algorithmicx,algorithm,algpseudocode}
|
||||
\algnewcommand\algorithmicassert{\texttt{assert}}
|
||||
\algnewcommand\Assert[1]{\State \algorithmicassert(#1)}
|
||||
%\algrenewcommand{\algorithmiccomment}[1]{$\triangleright$ #1}
|
||||
|
||||
%\usepackage[version=4]{mhchem}
|
||||
\usepackage{amsmath,amsfonts,amssymb,bm,microtype,graphicx,wrapfig,geometry,physics,eurosym,multirow,pgfgantt}
|
||||
|
||||
\usepackage{hyperref}
|
||||
\hypersetup{
|
||||
colorlinks=true,
|
||||
linkcolor=cyan,
|
||||
filecolor=magenta,
|
||||
urlcolor=blue,
|
||||
citecolor=purple
|
||||
}
|
||||
|
||||
% operators
|
||||
\newcommand{\hI}{\Hat{1}}
|
||||
\newcommand{\hH}{\Hat{H}}
|
||||
\newcommand{\hT}[2]{\Hat{T}_{#1}^{#2}}
|
||||
\newcommand{\bH}{\mathbold{H}}
|
||||
\newcommand{\br}{\mathbold{r}}
|
||||
\newcommand{\la}{\lambda}
|
||||
\newcommand{\si}{\sigma}
|
||||
|
||||
\newcommand{\cJ}{\mathcal{J}}
|
||||
\newcommand{\cK}{\mathcal{K}}
|
||||
|
||||
% wave functions
|
||||
\newcommand{\PsiO}{\Psi_0}
|
||||
\newcommand{\PsiHF}{\Psi_\text{RHF}}
|
||||
\newcommand{\PsiFCI}{\Psi_\text{FCI}}
|
||||
\newcommand{\PsiCC}{\Psi_\text{CC}}
|
||||
\newcommand{\PsiCCD}{\Psi_\text{CCD}}
|
||||
|
||||
\newcommand{\amp}[2]{t_{#1}^{#2}}
|
||||
\newcommand{\Det}[2]{\Psi_{#1}^{#2}}
|
||||
|
||||
% energies
|
||||
\newcommand{\EHF}{E_\text{HF}}
|
||||
\newcommand{\EO}{E_\text{0}}
|
||||
\newcommand{\ECC}{E_\text{CC}}
|
||||
\newcommand{\EVCC}{E_\text{VCC}}
|
||||
\newcommand{\ECCD}{E_\text{CCD}}
|
||||
|
||||
\newcommand{\nEl}{n}
|
||||
\newcommand{\nBas}{N}
|
||||
|
||||
\newcommand{\ba}{\bm{a}}
|
||||
\newcommand{\bb}{\bm{b}}
|
||||
\newcommand{\bA}{\bm{A}}
|
||||
\newcommand{\bB}{\bm{B}}
|
||||
\newcommand{\bo}{\bm{0}}
|
||||
\newcommand{\sbra}[1]{[ #1 |}
|
||||
\newcommand{\sket}[1]{| #1 ]}
|
||||
\newcommand{\sexpval}[1]{[ #1 ]}
|
||||
\newcommand{\sbraket}[2]{[ #1 | #2 ]}
|
||||
\newcommand{\smel}[3]{[ #1 | #2 | #3 ]}
|
||||
|
||||
|
||||
\definecolor{darkgreen}{RGB}{0, 180, 0}
|
||||
\definecolor{fooblue}{RGB}{0,153,255}
|
||||
\definecolor{fooyellow}{RGB}{234,187,0}
|
||||
\definecolor{lavender}{rgb}{0.71, 0.49, 0.86}
|
||||
\definecolor{inchworm}{rgb}{0.7, 0.93, 0.36}
|
||||
\newcommand{\violet}[1]{\textcolor{lavender}{#1}}
|
||||
\newcommand{\orange}[1]{\textcolor{orange}{#1}}
|
||||
\newcommand{\purple}[1]{\textcolor{purple}{#1}}
|
||||
\newcommand{\blue}[1]{\textcolor{blue}{#1}}
|
||||
\newcommand{\green}[1]{\textcolor{darkgreen}{#1}}
|
||||
\newcommand{\yellow}[1]{\textcolor{fooyellow}{#1}}
|
||||
\newcommand{\red}[1]{\textcolor{red}{#1}}
|
||||
\newcommand{\highlight}[1]{\textcolor{fooblue}{#1}}
|
||||
\newcommand{\pub}[1]{\small \textcolor{purple}{#1}}
|
||||
\newcommand{\mc}{\multicolumn}
|
||||
|
||||
\newcommand{\mycirc}[1][black]{\Large\textcolor{#1}{\ensuremath\bullet}}
|
||||
|
||||
\usepackage{tikz}
|
||||
\usetikzlibrary{arrows,positioning,shapes.geometric}
|
||||
\usetikzlibrary{decorations.pathmorphing}
|
||||
|
||||
\tikzset{snake it/.style={
|
||||
decoration={snake,
|
||||
amplitude = .4mm,
|
||||
segment length = 2mm},decorate}}
|
||||
|
||||
|
||||
% *************
|
||||
% * HEAD DATA *
|
||||
% *************
|
||||
\title[$GW$/BSE methods in chemistry]{
|
||||
\purple{$GW$/BSE methods in chemistry: \\
|
||||
Computational aspects}
|
||||
}
|
||||
\author[PF Loos]{Pierre-Fran\c{c}ois LOOS}
|
||||
\date{Online ISTPC 2021 school --- April 27th, 2021}
|
||||
\institute[CNRS@LCPQ]{
|
||||
Laboratoire de Chimie et Physique Quantiques (UMR 5626),\\
|
||||
Universit\'e de Toulouse, CNRS, UPS, Toulouse, France.
|
||||
}
|
||||
\titlegraphic{
|
||||
\includegraphics[width=0.4\textwidth]{fig/jarvis}
|
||||
\\
|
||||
\vspace{0.05\textheight}
|
||||
\includegraphics[height=0.05\textwidth]{fig/UPS}
|
||||
\hspace{0.2\textwidth}
|
||||
\includegraphics[height=0.05\textwidth]{fig/ERC}
|
||||
\hspace{0.2\textwidth}
|
||||
\includegraphics[height=0.05\textwidth]{fig/LCPQ}
|
||||
\hspace{0.2\textwidth}
|
||||
\includegraphics[height=0.05\textwidth]{fig/CNRS}
|
||||
}
|
||||
|
||||
\begin{document}
|
||||
|
||||
%%% SLIDE 1 %%%
|
||||
\begin{frame}
|
||||
\titlepage
|
||||
\end{frame}
|
||||
%
|
||||
|
||||
%%% SLIDE 2 %%%
|
||||
\begin{frame}{Today's program}
|
||||
\begin{itemize}
|
||||
\item
|
||||
\end{itemize}
|
||||
\end{frame}
|
||||
%
|
||||
|
||||
|
||||
%%% FINAL SLIDE %%%
|
||||
%-----------------------------------------------------
|
||||
\section{Books}
|
||||
%-----------------------------------------------------
|
||||
\begin{frame}{Good books}
|
||||
\begin{columns}
|
||||
\begin{column}{0.7\textwidth}
|
||||
\begin{itemize}
|
||||
\item Introduction to Computational Chemistry (Jensen)
|
||||
\\
|
||||
\vspace{1cm}
|
||||
\item Essentials of Computational Chemistry (Cramer)
|
||||
\\
|
||||
\vspace{1cm}
|
||||
\item Modern Quantum Chemistry (Szabo \& Ostlund)
|
||||
\\
|
||||
\vspace{1cm}
|
||||
\item Molecular Electronic Structure Theory (Helgaker, Jorgensen \& Olsen)
|
||||
\\
|
||||
\vspace{1cm}
|
||||
\end{itemize}
|
||||
\end{column}
|
||||
\begin{column}{0.3\textwidth}
|
||||
\centering
|
||||
\includegraphics[height=0.3\textwidth]{fig/Jensen}
|
||||
\\
|
||||
\bigskip
|
||||
\includegraphics[height=0.3\textwidth]{fig/Cramer}
|
||||
\\
|
||||
\bigskip
|
||||
\includegraphics[height=0.3\textwidth]{fig/Szabo}
|
||||
\\
|
||||
\bigskip
|
||||
\includegraphics[height=0.3\textwidth]{fig/Helgaker}
|
||||
\end{column}
|
||||
\end{columns}
|
||||
\end{frame}
|
||||
|
||||
|
||||
\end{document}
|
BIN
2021/Lecture_2/fig/CNRS.png
Executable file
After Width: | Height: | Size: 121 KiB |
BIN
2021/Lecture_2/fig/Cramer.jpg
Normal file
After Width: | Height: | Size: 30 KiB |
BIN
2021/Lecture_2/fig/ERC.jpg
Normal file
After Width: | Height: | Size: 56 KiB |
BIN
2021/Lecture_2/fig/Helgaker.jpg
Normal file
After Width: | Height: | Size: 101 KiB |
BIN
2021/Lecture_2/fig/Jensen.jpg
Normal file
After Width: | Height: | Size: 30 KiB |
BIN
2021/Lecture_2/fig/LCPQ.pdf
Normal file
BIN
2021/Lecture_2/fig/Szabo.jpg
Normal file
After Width: | Height: | Size: 3.0 MiB |
BIN
2021/Lecture_2/fig/UPS.pdf
Normal file
BIN
2021/Lecture_2/fig/jarvis.jpg
Normal file
After Width: | Height: | Size: 40 KiB |