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\centering
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\includegraphics[width=\textwidth]{q1a_1and50.png}
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\caption{probability densities for \(n=1\)\\and \(n=50\).}
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\caption{Probability densities for \(n=1\)\\and \(n=50\).}
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\label{fig:q3_ne}
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\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}
|
||||||
|
60
PS2/q1d.m
Normal file
60
PS2/q1d.m
Normal file
@ -0,0 +1,60 @@
|
|||||||
|
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]');
|
Loading…
Reference in New Issue
Block a user