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The document describes simulations of quantum particles in one-dimensional potential wells. It defines several potential well models, including a finite well, infinite well with a bump, and infinite well with a bump of increasing height. It then diagonalizes the Hamiltonian to obtain the eigenfunctions and energies. Plots of the potential, eigenfunctions, and energies are generated for each well model. Time evolution of expectation values is also calculated by propagating the initial state.

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Osher Elinger
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26 views

Code PDF

The document describes simulations of quantum particles in one-dimensional potential wells. It defines several potential well models, including a finite well, infinite well with a bump, and infinite well with a bump of increasing height. It then diagonalizes the Hamiltonian to obtain the eigenfunctions and energies. Plots of the potential, eigenfunctions, and energies are generated for each well model. Time evolution of expectation values is also calculated by propagating the initial state.

Uploaded by

Osher Elinger
Copyright
© © All Rights Reserved
Available Formats
Download as PDF, TXT or read online on Scribd
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%% Finite Well

Finite_depth=5; % Depth of the finite well


Systemsize=20; % Size of our system
L=Systemsize*.8; % Size of the well

% Defining the x vector and the step dx


leftend=-Systemsize/2;
rightend=Systemsize/2;
N=1e3;
x=linspace(leftend,rightend,N);
dx=x(2)-x(1);

% Defining the 2nd derivative matrix


d2=(diag(-2.*ones(size(x)))+diag(ones(1,length(x)-1),1)+diag(ones(1,length(x)-1),-1))./dx^2;

% Defining the potential as a function of x


V=@(x) Finite_depth.*(1-rectangularPulse(-L/2,L/2,x));

% Turning the potential from a vector function of x into a diagonal matrix


Potential=V(x).*eye(length(x));

% Defining the Hamiltonian matrix


H=-d2+Potential;

% Diagonalizing it to get psi (eigenfunctions) and E (energies)


[psi,E]=eig(H);

% Plotting the well


figure(1); plot(x,V(x),'linewidth',1.5); ylim([-0.5 5.5]); grid on; xlabel('x'); ylabel('V');
title('Finite Potential Well');

% Plotting the eigenfunctions


figure(2); plot(x,psi(:,1),x,psi(:,2)+0.1,x,psi(:,3)+0.2,x,psi(:,4)+0.3,x,...
psi(:,5)+0.4,'linewidth',1.5); hold all; grid on; xlabel('x'); ylabel('\psi(x)');
title('First 5 Eigenfunctions'); ylim([-0.1 0.5]);

% Adding the well bounds


plot([-8 -8],[-1 1],'color','k','linewidth',2.5); plot([8 8],[-1 1],'color','k','linewidth',2.5);

%% Well with a Bump

Infinite_depth=1e3; % Depth of the infinite well


Bump_height=0.5; % Height of the bump
Systemsize=20; % Size of our system
L=Systemsize*.8; % Size of the well
a=Systemsize*.3; % Width of the bump

% Defining the x vector and the step dx


leftend=-Systemsize/2;
rightend=Systemsize/2;
N=1e3;
x=linspace(leftend,rightend,N);
dx=x(2)-x(1);

% Defining the 2nd derivative matrix


d2=(diag(-2.*ones(size(x)))+diag(ones(1,length(x)-1),1)+diag(ones(1,length(x)-1),-1))./dx^2;

% Defining the potential as a function of x


V=@(x) Infinite_depth.*(1-rectangularPulse(-L/2,L/2,x))+...
Bump_height.*rectangularPulse(-a/2,a/2,x); % bump in the middle

% Turning the potential from a vector function of x into a diagonal matrix


Potential=V(x).*eye(length(x));

% Defining the Hamiltonian matrix


H=-d2+Potential;

% Diagonalizing it to get psi (eigenfunctions) and E (energies)


[psi,E]=eig(H);

% Turning the Diagonal matrix E into a vector of energies


E=diag(E);
% Definig a vector of the level numbers
n=1:length(x);

% Plotting the well


figure(1); plot(x,V(x),'linewidth',1.5); xlim([-10 10]); ylim([-0.5 5.5]); grid on; ...
xlabel('x'); ylabel('V'); title('Infinite Well with a Bump');

% Plotting the eigenfunctions


figure(2); plot(x,psi(:,1),x,psi(:,2)+0.2,x,psi(:,3)+0.4,x,psi(:,4)+0.6,x,...
psi(:,5)+0.8,'linewidth',1.5); hold all; grid on; xlabel('x'); ylabel('\psi(x)');
title('First 5 Eigenfunctions'); ylim([0 0.9]);
plot([-8 -8],[-1 1],'color','k','linewidth',2.5); plot([8 8],[-1 1],'color','k','linewidth',2.5);

% Plotting the energies vs. n. In our units, an infinite well has


% En=pi^2*n^2/L^2
figure(3); plot(n,E,'o','linewidth',1); hold all; plot(n,pi^2.*n.^2/L^2,'linewidth',2); ...
xlim([0 110]); ylim([0 400]); grid on; xlabel('n');
legend('E_n','\pi^2n^2/L^2','location','northwest');

% Defining the initial state


psi_init=1/sqrt(2).*(psi(:,1)+psi(:,2));

% Defining the propagation matrix as a function of time


% Note that here, I used the fact that Delta t is proportional to hbar to
% get rid of hbar in the exponent
propagation=@(t) expm(-1i*H*t);
Delta_t=pi/(E(2)-E(1));

t_steps=21;

% Creating a vector of times to plot


ts=linspace(0,2*Delta_t,t_steps);

% Allocating memory for the propagated wavefunctions


propagated_psi=nan(size(psi,1),t_steps);

figure;
for j=1:t_steps

subplot(3,7,j);

% Propagating psi by operating on it with the propagation matrix


propagated_psi(:,j)=propagation(ts(j))*psi_init;

% Plotting
plot(x,abs(propagated_psi(:,j)).^2,'linewidth',2); grid on; ylim([0 6e-3]);
title(['t = ' num2str(ts(j)/Delta_t) '\Delta t']);

end

% Calculating expectation values


t_steps2=251;

% Creating a vector of times to plot


ts2=linspace(0,10*Delta_t,t_steps2);

% Allocating memory for the propagated wavefunctions


propagated_psi=nan(size(psi,1),t_steps2);

% There are two equivalent ways to calculate the expectation values.


% Allocating memory:
mean_x=nan(1,t_steps2);
mean_x2=mean_x;
mean_xsq=mean_x;
mean_xsq2=mean_x;
mean_H=mean_x;
sigma=mean(x);

% For the 2nd method: define the X and X^2 operator matrix:
Xmat=x.*eye(length(x));
Xsqmat=x.^2.*eye(length(x));

for j=1:t_steps2
% Propagating psi by operating on it with the propagation matrix
propagated_psi(:,j)=propagation(ts2(j))*psi_init;

mean_x(j)=trapz(x.*abs(propagated_psi(:,j))'.^2); % calculating using an integral


mean_x2(j)=propagated_psi(:,j)'*Xmat*propagated_psi(:,j); % calculating by just <psi|X|psi>

mean_xsq(j)=trapz(x.^2.*abs(propagated_psi(:,j))'.^2);
mean_xsq2(j)=propagated_psi(:,j)'*Xsqmat*propagated_psi(:,j);

mean_H(j)=propagated_psi(:,j)'*H*propagated_psi(:,j); % Calculating by <psi|H|psi>

sigma(j)=sqrt(mean_xsq(j)-mean_x(j)^2);

end

figure; plot(ts2/Delta_t,mean_x,'linewidth',1.5);
xlabel('t/\Delta t'); ylabel('<x>'); grid on;
figure; plot(ts2/Delta_t,mean_xsq,'linewidth',1.5);
xlabel('t/\Delta t'); ylabel('<x^2>'); grid on; ylim([0 25]);
figure; plot(ts2/Delta_t,sigma,'linewidth',1.5);
xlabel('t/\Delta t'); ylabel('\sigma_X'); grid on;
figure; plot(ts2/Delta_t,mean_H,'linewidth',1.5);
xlabel('t/\Delta t'); ylabel('<H>'); grid on; ylim([0 0.3]);

%% Bump with Increasing Height

Infinite_depth=1e3; % Depth of the infinite well


Bump_height=[0.001 0.01 0.03 0.05 0.1]*Infinite_depth; % Height of the bump
Systemsize=20; % Size of our system
L=Systemsize*.8; % Size of the well
a=Systemsize*.3; % Width of the bump

% Defining the x vector and the step dx


leftend=-Systemsize/2;
rightend=Systemsize/2;
N=1e3;
x=linspace(leftend,rightend,N);
dx=x(2)-x(1);

% Defining the 2nd derivative matrix


d2=(diag(-2.*ones(size(x)))+diag(ones(1,length(x)-1),1)+diag(ones(1,length(x)-1),-1))./dx^2;

for i=1:length(Bump_height)

% Defining the potential as a function of x


V=@(x) Infinite_depth.*(1-rectangularPulse(-L/2,L/2,x))+...
Bump_height(i).*rectangularPulse(-a/2,a/2,x); % bump in the middle

% Turning the potential from a vector function of x into a diagonal matrix


Potential=V(x).*eye(length(x));

% Defining the Hamiltonian matrix


H=-d2+Potential;

% Diagonalizing it to get psi (eigenfunctions) and E (energies)


[psi,E]=eig(H);

% Turning the Diagonal matrix E into a vector of energies


E=diag(E);

% Definig a vector of the level numbers


n=1:length(x);

% Plotting the well


figure(31); set(gcf,'position',[100 50 1000 700]);
subplot(3,2,i); plot(x,V(x),'linewidth',1.5); xlim([-10 10]); %ylim([-0.5 5.5]); ...
grid on; xlabel('x'); ylabel('V');
title(['Infinite Well with a Bump of ' num2str(Bump_height(i)/Infinite_depth) '\cdotU']);

% Plotting the eigenfunctions


figure(32); set(gcf,'position',[100 50 1000 700]);
subplot(3,2,i); plot(x,psi(:,1),x,psi(:,2)+0.2,x,psi(:,3)+0.4,x,psi(:,4)+0.6,x,...
psi(:,5)+0.8,'linewidth',1.5); hold all; grid on; xlabel('x'); ylabel('\psi(x)');
title(['First 5 Eigenfunctions for V = ' num2str(Bump_height(i)/Infinite_depth) '\cdotU']);
ylim([-0.1 0.9]);
plot([-8 -8],[-1 1],'color','k','linewidth',2.5); plot([8 8],[-1 1],'color','k','linewidth',2.5);
figure(33); set(gcf,'position',[100 50 1000 700]);
subplot(3,2,i); plot(n(1:50),E(1:50),'o'); xlabel('n'); ylabel('E_n');
title(['Energies for V = ' num2str(Bump_height(i)/Infinite_depth) '\cdotU']);
grid on;

end

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