Merge branch 'master' of github.com:davidlenfesty/ECE_456
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\@writefile{lof}{\contentsline {figure}{\numberline {2}{\ignorespaces Analytic solution to numeric system, plotted.\relax }}{4}{}\protected@file@percent }
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\newlabel{fig:q1b_electrons}{{2}{4}}
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# Fdb version 3
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# Fdb version 3
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@ -44,7 +60,9 @@
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Output written on d:/Users\Speedee\Documents\University\Year5\Winter\ECE456\ProblemSets\Git\ECE_456\PS2\doc.pdf (7 pages, 85838 bytes).
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Output written on d:/Users\Speedee\Documents\University\Year5\Winter\ECE456\ProblemSets\Git\ECE_456\PS2\doc.pdf (9 pages, 244757 bytes).
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PDF statistics:
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PDF statistics:
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104 PDF objects out of 1000 (max. 8388607)
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11 words of extra memory for PDF output out of 10000 (max. 10000000)
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\usepackage{fancyhdr}
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\usepackage{fancyhdr}
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\usepackage{titlesec}
|
\usepackage{titlesec}
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\usepackage{lipsum}
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\usepackage{lipsum}
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\usepackage{enumitem}
|
\usepackage{enumitem}
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|
\usepackage{cancel}
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|
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\titleformat{\subsection}[runin]{\normalfont \large \bfseries}
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\titleformat{\subsection}[runin]{\normalfont \large \bfseries}
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{\thesubsection}{1em}{}
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{\thesubsection}{1em}{}
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@ -46,7 +46,7 @@
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numbersep=9pt, % this defines how far the numbers are from the text
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numbersep=9pt, % this defines how far the numbers are from the text
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emph=[1]{for,end,break},emphstyle=[1]\color{red}, %some words to emphasise
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emph=[1]{for,end,break},emphstyle=[1]\color{red}, %some words to emphasise
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%emph=[2]{word1,word2}, emphstyle=[2]{style},
|
%emph=[2]{word1,word2}, emphstyle=[2]{style},
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xleftmargin=5em
|
xleftmargin=2em
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}
|
}
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%\lstset{basicstyle=\small,
|
%\lstset{basicstyle=\small,
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% keywordstyle=\color{mauve},
|
% keywordstyle=\color{mauve},
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@ -81,28 +81,212 @@
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|
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\begin{enumerate}[align=left,leftmargin=*,labelsep=1em,label=\bfseries(\alph*)]
|
\begin{enumerate}[align=left,leftmargin=*,labelsep=1em,label=\bfseries(\alph*)]
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||||||
\item %1a
|
\item %1a
|
||||||
\lipsum[1]
|
Code:
|
||||||
|
\begin{lstlisting}[language=Matlab]
|
||||||
|
clear all;
|
||||||
|
%physical constants in MKS units
|
||||||
|
|
||||||
|
hbar = 1.054e-34;
|
||||||
|
q = 1.602e-19;
|
||||||
|
m = 9.110e-31;
|
||||||
|
|
||||||
|
%generate lattice
|
||||||
|
|
||||||
|
N = 100; %number of lattice points
|
||||||
|
n = [1:N]; %lattice points
|
||||||
|
a = 1e-10; %lattice constant
|
||||||
|
x = a * n; %x-coordinates
|
||||||
|
t0 = (hbar^2)/(2*m*a^2)/q; %encapsulating factor
|
||||||
|
L = a * (N+1); %total length of consideration
|
||||||
|
|
||||||
|
%set up Hamiltonian matrix
|
||||||
|
|
||||||
|
U = 0*x; %0 potential at all x
|
||||||
|
main_diag = diag(2*t0*ones(1,N)+U,0); %create main diagonal matrix
|
||||||
|
lower_diag = diag(-t0*ones(1,N-1),-1); %create lower diagonal matrix
|
||||||
|
upper_diag = diag(-t0*ones(1,N-1),+1); %create upper diagonal matrix
|
||||||
|
|
||||||
|
H = main_diag + lower_diag + upper_diag; %sum to get Hamiltonian matrix
|
||||||
|
|
||||||
|
[eigenvectors,E_diag] = eig(H); %"eigenvectors" is a matrix wherein each
|
||||||
|
%column is an eigenvector
|
||||||
|
%"E_diag" is a diagonal matrix where the
|
||||||
|
%corresponding eigenvalues are on the
|
||||||
|
%diagonal.
|
||||||
|
|
||||||
|
E_col = diag(E_diag); %folds E_diag into a column vector of eigenvalues
|
||||||
|
|
||||||
|
% return eigenvectors for the 1st and 50th eigenvalues
|
||||||
|
|
||||||
|
phi_1 = eigenvectors(:,1);
|
||||||
|
phi_50 = eigenvectors(:,50);
|
||||||
|
|
||||||
|
% find the probability densities of position for 1st and 50th eigenvectors
|
||||||
|
|
||||||
|
P_1 = phi_1 .* conj(phi_1);
|
||||||
|
P_50 = phi_50 .* conj(phi_50);
|
||||||
|
|
||||||
|
% Find first N analytic eigenvalues
|
||||||
|
E_col_analytic = (1/q) * (hbar^2 * pi^2 * n.*n) / (2*m*L^2);
|
||||||
|
|
||||||
|
% Plot the probability densities for 1st and 50th eigenvectors
|
||||||
|
|
||||||
|
figure(1); clf; h = plot(x,P_1,'kx',x,P_50,'k-');
|
||||||
|
grid on; set(h,'linewidth',[2.0]); set(gca,'Fontsize',[18]);
|
||||||
|
xlabel('POSITION [m]'); ylabel('PROBABILITY DENSITY [1/m]');
|
||||||
|
legend('n=1','n=50');
|
||||||
|
|
||||||
|
% Plot numerical eigenvalues
|
||||||
|
figure(2); clf; h = plot(n,E_col,'kx'); grid on;
|
||||||
|
set(h,'linewidth',[2.0]); set(gca,'Fontsize',[18]);
|
||||||
|
xlabel('EIGENVALUE NUMBER'); ylabel('ENERGY [eV]');
|
||||||
|
axis([0 100 0 40]);
|
||||||
|
|
||||||
|
% Add analytic eigenvalues to above plot
|
||||||
|
|
||||||
|
hold on;
|
||||||
|
plot(n,E_col_analytic,'k-');
|
||||||
|
legend({'Numerical','Analytical'},'Location','northwest');
|
||||||
|
|
||||||
|
\end{lstlisting}
|
||||||
|
%
|
||||||
|
\begin{figure}[H]
|
||||||
|
\centering
|
||||||
|
\begin{subfigure}{0.4\linewidth}
|
||||||
|
\centering
|
||||||
|
\includegraphics[width=\textwidth]{q1a_1and50.png}
|
||||||
|
\caption{probability densities for \(n=1\)\\and \(n=50\).}
|
||||||
|
\label{fig:q3_ne}
|
||||||
|
\end{subfigure}%
|
||||||
|
\begin{subfigure}{0.4\linewidth}
|
||||||
|
\centering
|
||||||
|
\includegraphics[width=\textwidth]{q1a_eigenvals.png}
|
||||||
|
\caption{Comparison of first 101 numerical and analytic eigenvalues.}
|
||||||
|
\label{fig:q3_current}
|
||||||
|
\end{subfigure}
|
||||||
|
\end{figure}
|
||||||
\item %1b
|
\item %1b
|
||||||
\begin{enumerate}[align=left,leftmargin=*,labelsep=0em,label=(\roman*)]
|
\begin{enumerate}[align=left,leftmargin=*,labelsep=0em,label=(\roman*)]
|
||||||
\item %1bi
|
\item %1bi
|
||||||
The analytical solution is
|
The analytical solution is
|
||||||
|
|
||||||
\begin{equation}
|
\begin{equation}
|
||||||
\Phi(x) = A sin (\frac{n \pi}{L} x)
|
\phi(x) = A sin \left( \frac{n \pi}{L} x \right)
|
||||||
|
\label{eq:analytical}
|
||||||
\end{equation}
|
\end{equation}
|
||||||
|
|
||||||
|
In order to normalise this equation it must conform to the following:
|
||||||
|
|
||||||
|
\begin{equation}
|
||||||
|
\int_{0}^{L} \left| \phi(x) \right| ^2 dx = 1.
|
||||||
|
\label{eq:normalise}
|
||||||
|
\end{equation}
|
||||||
|
|
||||||
|
We use the following identity:
|
||||||
|
|
||||||
|
\begin{equation}
|
||||||
|
\int\sin^2{(\alpha x)}\:dx = \frac{1}{2} x -\frac{1}{4\alpha}\sin{(2\alpha x)}.
|
||||||
|
\label{eq:integral_ident}
|
||||||
|
\end{equation}
|
||||||
|
|
||||||
|
Given that $sin$ of a real value is always real, we can disregard the norm operation, and directly relate (\ref{eq:analytical})
|
||||||
|
to the above identity.
|
||||||
|
Evaluating the integral gives us the following relationship
|
||||||
|
|
||||||
|
\begin{equation*}
|
||||||
|
\frac{1}{A^2} = \frac{1}{2} L - \cancel{\frac{L}{4n \pi} sin \left( \frac{2n \pi}{L} L \right)} - \cancel{\frac{1}{2} \cdot 0} + \cancel{\frac{L}{4n \pi} sin(0)}
|
||||||
|
\end{equation*}
|
||||||
|
|
||||||
|
From this, we find:
|
||||||
|
|
||||||
|
\begin{equation*}
|
||||||
|
A = \sqrt{\frac{2}{L}}
|
||||||
|
\end{equation*}
|
||||||
|
|
||||||
\item %1bii
|
\item %1bii
|
||||||
\lipsum[1]
|
|
||||||
|
Starting with the normalization condition for the numerical case:
|
||||||
|
\begin{align*}
|
||||||
|
a\sum_{l=1}^N|\phi_l|^2 = a \\
|
||||||
|
a\sum_{l=1}^N|B\sin{(\frac{n\pi}{L}x_l)}|^2 = a,
|
||||||
|
\end{align*}
|
||||||
|
recalling that \(x = al\), and allowing \(a \to 0\) while holding \(L\)
|
||||||
|
constant implies that \(N \to \infty\), since \(a=\frac{L}{N}\).
|
||||||
|
An integral is defined as the limit of a Riemann sum as follows:
|
||||||
|
\begin{equation*}
|
||||||
|
\int_a^bf(x)\:dx = \lim_{n \to \infty}\sum_{i=1}^n\Delta x\cdot f(x_i).
|
||||||
|
\end{equation*}
|
||||||
|
|
||||||
|
|
||||||
|
The output of the numerical sum will change, as the value of $\alpha$ changes, by a factor of $\alpha$.
|
||||||
|
To correct for this, we need to factor the result of the summation by $\alpha$, which corresponds to
|
||||||
|
|
||||||
|
% Idk how to explain this at all, I need to chew on it internally and come back later.
|
||||||
|
\begin{equation*}
|
||||||
|
foo
|
||||||
|
\end{equation*}
|
||||||
|
|
||||||
|
This means that B must be
|
||||||
|
\begin{equation*}
|
||||||
|
B = \sqrt{\frac{2 \alpha}{L}}
|
||||||
|
\end{equation*}
|
||||||
|
|
||||||
\end{enumerate}
|
\end{enumerate}
|
||||||
|
|
||||||
\item %1c
|
\item %1c
|
||||||
\begin{enumerate}[align=left,leftmargin=*,labelsep=0em,label=(\roman*)]
|
\begin{enumerate}[align=left,leftmargin=*,labelsep=0em,label=(\roman*)]
|
||||||
\item %1ci
|
\item %1ci
|
||||||
\lipsum[1]
|
|
||||||
|
% TODO check that B is expressed correctly in all these equations (alpha, not ell, wait for pdf gen)
|
||||||
|
From the base form of $\phi _\ell = Bsin \left( \frac {n \pi}{L} \alpha \ell \right)$, we can see that
|
||||||
|
$\phi _ {\ell + 1}$ and $\phi _ {\ell - 1}$ correspond to the trigonometric identities
|
||||||
|
$sin(\alpha + B) = sin(\alpha)cos(B) + cos(\alpha)sin(B)$ and
|
||||||
|
$sin(\alpha + B) = sin(\alpha)cos(B) + cos(\alpha)sin(B)$, respectively, where
|
||||||
|
$\alpha = \frac{n \pi \alpha \ell}{L}$ and $B = \frac{n \pi \alpha}{L}$.
|
||||||
|
|
||||||
|
Plugging these identities into equation (7) from the assignment and simplifying, we get to this equation:
|
||||||
|
|
||||||
|
\begin{equation*}
|
||||||
|
-t_0 B sin \left( \frac{n \pi \alpha \ell}{L} \right) + 2 t_0 \phi _{\ell} - t_0 sin \left( \frac{n \pi \alpha \ell}{L} \right)
|
||||||
|
\end{equation*}
|
||||||
|
|
||||||
|
At this point, we notice that $\phi _ \ell = B sin \left( \frac {n \pi}{L} \alpha \ell \right)$,
|
||||||
|
so we can factor it out.
|
||||||
|
|
||||||
|
With some minor rearranging, this leaves us with the final expression for $E$:
|
||||||
|
|
||||||
|
\begin{equation}
|
||||||
|
E = 2t_0 \left( 1 - cos \left( \frac{n \pi \alpha}{L} \right) \right)
|
||||||
|
\label{eq:numerical_E}
|
||||||
|
\end{equation}
|
||||||
|
|
||||||
\item %1cii
|
\item %1cii
|
||||||
\lipsum[1]
|
|
||||||
|
\begin{figure}[H]
|
||||||
|
\centering
|
||||||
|
\includegraphics[width=\textwidth]{q1cii.png}
|
||||||
|
\caption{Analytic solution to numeric system, plotted.}
|
||||||
|
\label{fig:q1b_electrons}
|
||||||
|
\end{figure}
|
||||||
|
|
||||||
|
We can see here that the "predicted" numerical response matches nearly exactly the actual
|
||||||
|
calculated numerical solution.
|
||||||
|
|
||||||
\item %1ciii
|
\item %1ciii
|
||||||
\lipsum[1]
|
|
||||||
|
Applying the approximation $cos(\Theta) = 1 - \frac{\Theta^2}{2}$ for small $\Theta$,
|
||||||
|
on equation (\ref{eq:numerical_E}), we get the following expression
|
||||||
|
|
||||||
|
\begin{equation*}
|
||||||
|
E = 2 t_0 \left( \frac{n^2 \pi^2 \alpha^2}{2 L^2} \right)
|
||||||
|
\end{equation*}
|
||||||
|
|
||||||
|
Fully substituting the known value of $t_0$, and we can get our final expression for $E$:
|
||||||
|
|
||||||
|
\begin{equation*}
|
||||||
|
E = \frac{ \hbar^2 n^2 \pi^2 }{ 2 m L^2 }
|
||||||
|
\end{equation*}
|
||||||
|
|
||||||
\item %1civ
|
\item %1civ
|
||||||
\lipsum[1]
|
\lipsum[1]
|
||||||
\end{enumerate}
|
\end{enumerate}
|
||||||
|
57
PS2/q1a.asv
Normal file
57
PS2/q1a.asv
Normal file
@ -0,0 +1,57 @@
|
|||||||
|
clear all;
|
||||||
|
%physical constants in MKS units
|
||||||
|
|
||||||
|
hbar = 1.054e-34;
|
||||||
|
q = 1.602e-19;
|
||||||
|
m = 9.110e-31;
|
||||||
|
|
||||||
|
%generate lattice
|
||||||
|
|
||||||
|
N = 100; %number of lattice points
|
||||||
|
n = [1:N]; %lattice points
|
||||||
|
a = 1e-10; %lattice constant
|
||||||
|
x = a * n; %x-coordinates
|
||||||
|
t0 = (hbar^2)/(2*m*a^2)/q; %encapsulating factor
|
||||||
|
L = a * (N+1); %total length of consideration
|
||||||
|
|
||||||
|
%set up Hamiltonian matrix
|
||||||
|
|
||||||
|
U = 0*x; %0 potential at all x
|
||||||
|
main_diag = diag(2*t0*ones(1,N)+U,0); %create main diagonal matrix
|
||||||
|
lower_diag = diag(-t0*ones(1,N-1),-1); %create lower diagonal matrix
|
||||||
|
upper_diag = diag(-t0*ones(1,N-1),+1); %create upper diagonal matrix
|
||||||
|
|
||||||
|
H = main_diag + lower_diag + upper_diag; %sum to get Hamiltonian matrix
|
||||||
|
|
||||||
|
[eigenvectors,E_diag] = eig(H); %"eigenvectors" is a matrix wherein each column is an eigenvector
|
||||||
|
%"E_diag" is a diagonal matrix where the
|
||||||
|
%corresponding eigenvalues are on the
|
||||||
|
%diagonal.
|
||||||
|
|
||||||
|
E_col = diag(E_diag); %folds E_diag into a column vector of eigenvalues
|
||||||
|
|
||||||
|
% return eigenvectors for the 1st and 50th eigenvalues
|
||||||
|
|
||||||
|
phi_1 = eigenvectors(:,1);
|
||||||
|
phi_50 = eigenvectors(:,50);
|
||||||
|
|
||||||
|
% find the probability densities of position for 1st and 50th eigenvectors
|
||||||
|
|
||||||
|
P_1 = phi_1 .* conj(phi_1);
|
||||||
|
P_50 = phi_50 .* conj(phi_50);
|
||||||
|
|
||||||
|
% Find first N analytic eigenvalues
|
||||||
|
E_col_analytic = (1/q) * (hbar^2 * pi^2 * n.*n) / (
|
||||||
|
% Plot the probability densities for 1st and 50th eigenvectors
|
||||||
|
|
||||||
|
figure(1); clf; h = plot(x,P_1,'kx',x,P_50,'k-');
|
||||||
|
grid on; set(h,'linewidth',[2.0]); set(gca,'Fontsize',[18]);
|
||||||
|
xlabel('POSITION [m]'); ylabel('PROBABILITY DENSITY [1/m]');
|
||||||
|
legend('n=1','n=50');
|
||||||
|
|
||||||
|
% Plot numerical eigenvalues
|
||||||
|
figure(2); clf; h = plot(n,E_col,'kx'); grid on;
|
||||||
|
set(h,'linewidth',[2.0]); set(gca,'Fontsize',[18]);
|
||||||
|
xlabel('EIGENVALUE NUMBER'); ylabel('ENERGY [eV]');
|
||||||
|
axis([0 100 0 40]);
|
||||||
|
|
62
PS2/q1a.m
62
PS2/q1a.m
@ -1,4 +1,4 @@
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clear all;
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%physical constants in MKS units
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%physical constants in MKS units
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hbar = 1.054e-34;
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hbar = 1.054e-34;
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@ -7,7 +7,59 @@ m = 9.110e-31;
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%generate lattice
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%generate lattice
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N = 100; %number of lattice points
|
N = 100; %number of lattice points
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n = [1:N]; %lattice points
|
n = [1:N]; %lattice points
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||||||
a = 1e-10; %lattice constant
|
a = 1e-10; %lattice constant
|
||||||
x = a * [1:1:N];
|
x = a * n; %x-coordinates
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|
t0 = (hbar^2)/(2*m*a^2)/q; %encapsulating factor
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|
L = a * (N+1); %total length of consideration
|
||||||
|
|
||||||
|
%set up Hamiltonian matrix
|
||||||
|
|
||||||
|
U = 0*x; %0 potential at all x
|
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|
main_diag = diag(2*t0*ones(1,N)+U,0); %create main diagonal matrix
|
||||||
|
lower_diag = diag(-t0*ones(1,N-1),-1); %create lower diagonal matrix
|
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|
upper_diag = diag(-t0*ones(1,N-1),+1); %create upper diagonal matrix
|
||||||
|
|
||||||
|
H = main_diag + lower_diag + upper_diag; %sum to get Hamiltonian matrix
|
||||||
|
|
||||||
|
[eigenvectors,E_diag] = eig(H); %"eigenvectors" is a matrix wherein each column is an eigenvector
|
||||||
|
%"E_diag" is a diagonal matrix where the
|
||||||
|
%corresponding eigenvalues are on the
|
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|
%diagonal.
|
||||||
|
|
||||||
|
E_col = diag(E_diag); %folds E_diag into a column vector of eigenvalues
|
||||||
|
|
||||||
|
% return eigenvectors for the 1st and 50th eigenvalues
|
||||||
|
|
||||||
|
phi_1 = eigenvectors(:,1);
|
||||||
|
phi_50 = eigenvectors(:,50);
|
||||||
|
|
||||||
|
% find the probability densities of position for 1st and 50th eigenvectors
|
||||||
|
|
||||||
|
P_1 = phi_1 .* conj(phi_1);
|
||||||
|
P_50 = phi_50 .* conj(phi_50);
|
||||||
|
|
||||||
|
% Find first N analytic eigenvalues
|
||||||
|
E_col_analytic = (1/q) * (hbar^2 * pi^2 * n.*n) / (2*m*L^2);
|
||||||
|
|
||||||
|
% Plot the probability densities for 1st and 50th eigenvectors
|
||||||
|
|
||||||
|
figure(1); clf; h = plot(x,P_1,'kx',x,P_50,'k-');
|
||||||
|
grid on; set(h,'linewidth',[2.0]); set(gca,'Fontsize',[18]);
|
||||||
|
xlabel('POSITION [m]'); ylabel('PROBABILITY DENSITY [1/m]');
|
||||||
|
legend('n=1','n=50');
|
||||||
|
|
||||||
|
% Plot numerical eigenvalues
|
||||||
|
figure(2); clf; h = plot(n,E_col,'kx'); grid on;
|
||||||
|
set(h,'linewidth',[2.0]); set(gca,'Fontsize',[18]);
|
||||||
|
xlabel('EIGENVALUE NUMBER'); ylabel('ENERGY [eV]');
|
||||||
|
axis([0 100 0 40]);
|
||||||
|
|
||||||
|
% Add analytic eigenvalues to above plot
|
||||||
|
|
||||||
|
hold on;
|
||||||
|
plot(n,E_col_analytic,'k-');
|
||||||
|
legend({'Numerical','Analytical'},'Location','northwest');
|
||||||
|
|
||||||
|
|
||||||
|
BIN
PS2/q1a_1and50.png
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BIN
PS2/q1a_1and50.png
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BIN
PS2/q1a_eigenvals.png
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BIN
PS2/q1a_eigenvals.png
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After Width: | Height: | Size: 22 KiB |
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Reference in New Issue
Block a user