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pkirwin 2021-03-01 16:43:36 -07:00
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@ -155,7 +155,7 @@ legend({'Numerical','Analytical'},'Location','northwest');
\begin{subfigure}{0.4\linewidth} \begin{subfigure}{0.4\linewidth}
\centering \centering
\includegraphics[width=\textwidth]{q1a_1and50.png} \includegraphics[width=\textwidth]{q1a_1and50.png}
\caption{probability densities for \(n=1\)\\and \(n=50\).} \caption{Probability densities for \(n=1\)\\and \(n=50\).}
\label{fig:q3_ne} \label{fig:q3_ne}
\end{subfigure}% \end{subfigure}%
\begin{subfigure}{0.4\linewidth} \begin{subfigure}{0.4\linewidth}
@ -206,29 +206,38 @@ legend({'Numerical','Analytical'},'Location','northwest');
\item %1bii \item %1bii
Starting with the normalization condition for the numerical case: Starting with the normalization condition for the numerical case:
\begin{align*} \begin{align}
a\sum_{l=1}^N|\phi_l|^2 = a \\ a\sum_{l=1}^N\left|\phi_l\right|^2 = a \\
a\sum_{l=1}^N|B\sin{(\frac{n\pi}{L}x_l)}|^2 = a, a\sum_{l=1}^N\left|B\sin{\left(\frac{n\pi}{L}x_l\right)}\right|^2 = a,
\end{align*} \label{eq:numerical_norm}
\end{align}
recalling that \(x = al\), and allowing \(a \to 0\) while holding \(L\) recalling that \(x = al\), and allowing \(a \to 0\) while holding \(L\)
constant implies that \(N \to \infty\), since \(a=\frac{L}{N}\). constant implies that \(N \to \infty\), since \(a=\frac{L}{N}\).
An integral is defined as the limit of a Riemann sum as follows: An integral is defined as the limit of a Riemann sum as follows:
\begin{equation}
\int_c^df(x)\:dx \equiv \lim_{n \to \infty}\sum_{i=1}^n\Delta x\cdot f(x_i).
\label{eq:Riemann_sum}
\end{equation}
where \(\Delta x = \frac{d-c}{n}\) and \(x_i = c + \Delta x \cdot i\). In our case,
\(n = N\), \(i = l\), \(c = 0\), \(d = L\), and \(\Delta x = a\), \(x_i = x_l\),
\(f(x) = \left|B\sin{\left(\frac{n\pi}{L}x\right)}\right|^2\). Therefore we can write
\begin{equation*} \begin{equation*}
\int_a^bf(x)\:dx = \lim_{n \to \infty}\sum_{i=1}^n\Delta x\cdot f(x_i). \int_0^L \left|B\sin{\left(\frac{n\pi}{L}x\right)}\right|^2\:dx
= \lim_{N \to \infty}\sum_{l=1}^N a \cdot \left|B\sin{\left(\frac{n\pi}{L}x_l\right)}\right|^2
= a.
\end{equation*} \end{equation*}
Using (\ref{eq:integral_ident}), we have
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*} \begin{equation*}
foo \int_0^L \left|B\sin{\left(\frac{n\pi}{L}x\right)}\right|^2\:dx
= \frac{1}{2}L - \cancel{\frac{L}{4n\pi}\sin{\left(\frac{2n\pi}{L}L\right)}}
- 0 + 0
= \frac{a}{B^2}.
\end{equation*} \end{equation*}
This means that B must be This means that B must be
\begin{equation*} \begin{equation*}
B = \sqrt{\frac{2 \alpha}{L}} B = \sqrt{\frac{2 a}{L}} = \sqrt{a} \times A.
\end{equation*} \end{equation*}
\end{enumerate} \end{enumerate}
@ -266,7 +275,6 @@ legend({'Numerical','Analytical'},'Location','northwest');
\centering \centering
\includegraphics[width=\textwidth]{q1cii.png} \includegraphics[width=\textwidth]{q1cii.png}
\caption{Analytic solution to numeric system, plotted.} \caption{Analytic solution to numeric system, plotted.}
\label{fig:q1b_electrons}
\end{figure} \end{figure}
We can see here that the "predicted" numerical response matches nearly exactly the actual We can see here that the "predicted" numerical response matches nearly exactly the actual
@ -288,18 +296,46 @@ legend({'Numerical','Analytical'},'Location','northwest');
\end{equation*} \end{equation*}
\item %1civ \item %1civ
\lipsum[1]
\begin{figure}[H]
\centering
\begin{subfigure}{0.5\textwidth}
\centering
\includegraphics[width=\textwidth]{q1civ_fig1.png}
\caption{Probability densities for \(n=1\)\\and \(n=50\).}
\end{subfigure}%
\begin{subfigure}{0.5\textwidth}
\centering
\includegraphics[width=\textwidth]{q1civ_fig2.png}
\caption{Comparison of first 101 numerical and analytic eigenvalues.}
\end{subfigure}
\end{figure}
% TODO idk if this is enough
With the decreased lattice spacing, and increased number of points, we can see the numerical solution
of eigenvalues matches the analytical solution much closer. As well, we can see that the probability
density function appears to be "squeezed" in the centre, for the $n = 50$ case.
\end{enumerate} \end{enumerate}
\item %1d \item %1d
\begin{enumerate}[align=left,leftmargin=*,labelsep=0em,label=(\roman*)] \begin{enumerate}[align=left,leftmargin=*,labelsep=0em,label=(\roman*)]
\item %1di \item %1di
\lipsum[1]
In order to modify the computations to those for a particle in a "ring"
we simply had to add $-t_0$ elements as the "corner" elements of the
hamiltonian operator array.
% TODO do we need a listing here
\item %1dii \item %1dii
\lipsum[1]
\item %1diii \item %1diii
\lipsum[1]
\item %1div \item %1div
\lipsum[1]
\end{enumerate} \end{enumerate}
\end{enumerate} \end{enumerate}

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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
% Modify hamiltonian for circular boundary conditions
H(1, N) = -t0;
H(N, 1) = -t0;
[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_4 = eigenvectors(:,4);
phi_5 = eigenvectors(:,5);
% find the probability densities of position for 1st and 50th eigenvectors
P_4 = phi_4 .* conj(phi_4);
P_5 = phi_5 .* conj(phi_5);
% 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_4,'kx',x,P_5,'k-');
grid on; set(h,'linewidth',[2.0]); set(gca,'Fontsize',[18]);
xlabel('POSITION [m]'); ylabel('PROBABILITY DENSITY [1/m]');
legend('n=4','n=5');
% 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]');