In this lecture, the instructor guides a discussion about translating between bra-ket notation and wavefunction notation for quantum systems.

This activity lets students explore translating a wavefunction that isn't obviously made up of eigenstates at first glance into ket and matrix form. Then students explore wave functions, probabilities in a region, expectation values, and what wavefunctions can tell you about measurements of \(L_z\).

These notes, from the third week of https://paradigms.oregonstate.edu/courses/ph441 cover the canonical ensemble and Helmholtz free energy. They include a number of small group activities.

Students use the completeness relation for the position basis to re-express expressions in bra/ket notation in wavefunction notation.

Students consider the dimensions of spin-state kets and position-basis kets.

With the Spins simulation set for a spin 1/2 system, measure the probabilities of all the possible spin components for each of the unknown initial states \(\left|{\psi_3}\right\rangle \) and \(\left|{\psi_4}\right\rangle \). (Since \(\left|{\psi_3}\right\rangle \) has already been covered in class, please only do \(\left|{\psi_4}\right\rangle \) )

1. Use your measured probabilities to find each of the unknown states as a linear superposition of the \(S_z\)-basis states \(\left|{+}\right\rangle \) and \(\left|{-}\right\rangle \).
2. Articulate a Process: Write a set of general instructions that would allow another student in next year's class to find an unknown state from measured probabilities.
3. Compare Theory with Experiment: Design an experiment that will allow you to test whether your prediction for each of the unknown states is correct. Describe your experiment here, clearly but succinctly, as if you were writing it up for a paper. Do the experiment and discuss your results.
4. Make a Conceptual Connection: In general, can you determine a quantum state with spin-component probability measurements in only two spin-component-directions? Why or why not?

Consider two noninteracting systems \(A\) and \(B\). We can either treat these systems as separate, or as a single combined system \(AB\). We can enumerate all states of the combined by enumerating all states of each separate system. The probability of the combined state \((i_A,j_B)\) is given by \(P_{ij}^{AB} = P_i^AP_j^B\). In other words, the probabilities combine in the same way as two dice rolls would, or the probabilities of any other uncorrelated events.

1. Show that the entropy of the combined system \(S_{AB}\) is the sum of entropies of the two separate systems considered individually, i.e. \(S_{AB} = S_A+S_B\). This means that entropy is extensive. Use the Gibbs entropy for this computation. You need make no approximation in solving this problem.
2. Show that if you have \(N\) identical non-interacting systems, their total entropy is \(NS_1\) where \(S_1\) is the entropy of a single system.

Note

In real materials, we treat properties as being extensive even when there are interactions in the system. In this case, extensivity is a property of large systems, in which surface effects may be neglected.

Consider the three quantum states: \[\left\vert \psi_1\right\rangle = \frac{4}{5}\left\vert +\right\rangle+ i\frac{3}{5} \left\vert -\right\rangle\] \[\left\vert \psi_2\right\rangle = \frac{4}{5}\left\vert +\right\rangle- i\frac{3}{5} \left\vert -\right\rangle\] \[\left\vert \psi_3\right\rangle = -\frac{4}{5}\left\vert +\right\rangle+ i\frac{3}{5} \left\vert -\right\rangle\]

1. For each of the \(\left|{\psi_i}\right\rangle \) above, calculate the probabilities of spin component measurements along the \(x\), \(y\), and \(z\)-axes.
2. Look For a Pattern (and Generalize): Use your results from \((a)\) to comment on the importance of the overall phase and of the relative phases of the quantum state vector.

A beam of spin-\(\frac{1}{2}\) particles is prepared in the initial state \[ \left\vert \psi\right\rangle = \sqrt{\frac{2}{5}}\; |+\rangle_x - \sqrt{\frac{3}{5}}\; |-\rangle_x \](Note: this state is written in the \(S_x\) basis!)

1. What are the possible results of a measurement of \(S_x\), with what probabilities?

2. Repeat part a for measurements of \(S_z\).

3. Suppose you start with a particle in the state given above, measure \(S_x\), and happen to get \(+\hbar /2\). You then take that same particle and measure \(S_z\). What are the possible results and with what probability would you measure each possible result?

At low temperatures, a diatomic molecule can be well described as a rigid rotor. The Hamiltonian of such a system is simply proportional to the square of the angular momentum \begin{align} H &= \frac{1}{2I}L^2 \end{align} and the energy eigenvalues are \begin{align} E_{\ell m} &= \hbar^2 \frac{\ell(\ell+1)}{2I} \end{align}

1. What is the energy of the ground state and the first and second excited states of the \(H_2\) molecule? i.e. the lowest three distinct energy eigenvalues.

2. At room temperature, what is the relative probability of finding a hydrogen molecule in the \(\ell=0\) state versus finding it in any one of the \(\ell=1\) states?
   i.e. what is \(P_{\ell=0,m=0}/\left(P_{\ell=1,m=-1} + P_{\ell=1,m=0} + P_{\ell=1,m=1}\right)\)

3. At what temperature is the value of this ratio 1?

4. At room temperature, what is the probability of finding a hydrogen molecule in any one of the \(\ell=2\) states versus that of finding it in the ground state?
   i.e. what is \(P_{\ell=0,m=0}/\left(P_{\ell=2,m=-2} + P_{\ell=2,m=-1} + \cdots + P_{\ell=2,m=2}\right)\)

Students review using the Arms representation to represent states for discrete quantum systems and connecting the Arms representation to histogram and matrix representation. The student then extend the Arms representation to begin exploring the continuous position basis.

This activity acts as a reintroduction to doing quantum calculations while also introducing the matrix representation on the ring, allowing students to discover how to index and form a column vector representing the given quantum state. In addition, this activity introduces degenerate measurements on the quantum ring and examines the state after measuring both degenerate and non-degenerate eigenvalues for the state.

Students see probability density for eigenstates and linear combinations of eigenstates for a particle on a ring. The three visual representations: standard position vs probability density plot, a ring with colormapping, and cylindrical plot with height and colormapping, are also animated to visualize time-evolution.

These lecture notes for the first week of https://paradigms.oregonstate.edu/courses/ph441 include a couple of small group activities in which students work with the Gibbs formulation of the entropy.

Students calculate probabilities for a particle on a ring whose wavefunction is not easily separated into eigenstates by inspection. To find the energy, angular momentum, and position probabilities, students perform integrations with the wavefunction or decompose the wavefunction into a superposition of eigenfunctions.

Students calculate probabilities for energy, angular momentum, and position as a function of time for an initial state that is a linear combination of energy/angular momentum eigenstates for a particle confined to a ring written in bra-ket notation. This activity helps students build an understanding of when they can expect a quantity to depend on time and to give them more practice moving between representations.

Students calculate probabilities for a particle on a ring using three different notations: Dirac bra-ket, matrix, and wave function. After calculating the angular momentum and energy measurement probabilities, students compare their calculation methods for notation.

Students compute probabilities and averages given a probability density in one dimension. This activity serves as a soft introduction to the particle in a box, introducing all the concepts that are needed.

Students find a wavefunction that corresponds to a Gaussian probability density.

Students observe three different plots of linear combinations of spherical combinations with probability density represented by color on the sphere, distance from the origin (polar plot), and distance from the surface of the sphere.

Students use Mathematica to visualize the probability density distribution for the hydrogen atom orbitals with the option to vary the values of \(n\), \(\ell\), and \(m\).