In order to make the jump from the wave function representation to Dirac Notation more obvious and natural let us consider the simplest problem usually discussed at great length in quantum mechanics introductory text book, namely a particle in an infinite box. We shall show that we can write the position and momentum operators as matrices.
To start off, we have a particle in an box with infinite potential at some finite boundary i.e the particle can't escape or tunnel and we are assured that at the boundaries the particle's wave function becomes zero. After going through the calculation(we shall not be done here) we arrive at the fact that the wave functions for the different energy states are given by \(\psi_n= \sqrt(\frac{2}{L}) \sin (\frac{n\pi x}{L}) \) where L is the length of the box and the energies are \(E_n = \frac{n^2 \pi^2 \hbar ^2}{2mL^2} \). Now the Hamiltonian is now merely the kinetic energy operator : \( \frac{p^2}{2m} \) that means that,
\begin{align}
\frac{p^2}{2m} \Psi(t) &= \sum a_n \frac{p^2}{2m} \psi_n \\
&= \sum_n a_n E_n \psi_n \hspace{10mm} \text{eq.1}
\end{align}
Remember that we could represent the wave function as a column vector, the elements of which are the coefficients:
\begin{equation}
\begin{pmatrix} a_1 \\ a_2 \\ a_3 \\ \vdots \end{pmatrix}
\end{equation}
Looking at eq.1 we see that we can represent the kinetic energy operator as
\begin{equation}
\begin{pmatrix}
E_1 & 0 & 0 & 0 & \ldots \\
0 & E_2 & 0 & 0 & \ldots \\
0 & 0 & E_3 & 0 & \ldots \\
\vdots & \vdots & \vdots \\
\end{pmatrix}
\end{equation}
What about the position operator, \( \hat{x}\)?
\begin{align}
\hat{x}\Psi &= \sum_n a_n \hat{x}\psi_n \\
\hat{x} \psi_n &= \sum _m x_{nm} \psi_ m \hspace{10mm} \text{eq.2}
\end{align}
We now use the orthogonality of the \( \psi_m \) to find the matrix elements \( x_{mn} \):
\begin{equation}
\int \psi_m ^{*} \hat{x} \psi_ n = x_{mn} \hspace{10mm} \text{eq.3}
\end{equation}
We multipled both sides by \(\psi^* \) in eq.2 and use the fact that \(\int \psi_n* \psi_m = \delta_{mn} \)
Doing the integral using the eigenfunctions of the particle in a box mentioned in the introductory second paragraph we get, \(x_{mn} = \frac{L}{\pi^2}\frac{4mn}{(m^2-n^2)^2}((-1)^{(m-n) }-1)\). For m=n we get the diagonal elements to be L/2. Remember that m represents the row number and n represents the column number. So when we say elements where m=n we mean the diagonal elements. We then go to our equation make m=n and then find the number to go into the diagonal spots in our matrix. If you want to find the number in the first row second column, make m=1 an n=2 in the equation. We therefore have that our matrix representing the position operator to be:
\begin{equation}
\begin{pmatrix}
\frac{L}{2} & \frac{-16L}{9 \pi^2} & 0 \ldots \\
\frac{-16L}{9 \pi^2}& \frac{L}{2} & \frac{-48L}{25 \pi^2}&\ldots \\
0 & \frac{-48L}{25 \pi^2} & \frac{L}{2}& \ldots \\
\vdots & \vdots & \vdots & \ldots
\end{pmatrix}
\end{equation}
Notice in eq.3 we sandwiched the operator between the eigenfunction and its complex conjugate in order to find the matrix element.
The same can be done with the momentum operator \hat{p}or represented concretely as \( \frac{-i\hbar d}{dx} \). We have :
\begin{align}
\hat{p}\Psi &= \sum_n a_n \hat{p} \psi_n \\
\hat{p}\psi_n &= \sum_m p_{nm} \psi_ m \\
\end{align}
Using the orthogonality of the \( \psi_n \) we get another integral to do namely, \(\int \psi_m ^{*} \hat{p} \psi_ n \). This time the integrals gives us \( p_{mn} = \frac{\hbar}{iL} \frac{2mn}{m^2-n^2} (1 - (-1)^{m-n})\). So the matrix representing our momentum operator is:
\begin{equation}
\begin{pmatrix}
0 & \frac{8i\hbar}{3L} & 0 \ldots \\
\frac{-8i\hbar}{3L}& 0 & \frac{24 i\hbar}{5L}&\ldots \\
0 & \frac{-24 i \hbar}{5L} & 0 & \ldots \\
\vdots & \vdots & \vdots & \ldots
\end{pmatrix}
\end{equation}
So as we can see our matrices are really infinite and they act on our infinite dimensional column.
We have now laid the ground for Dirac notation. We have seen that in this simple problem there is a representation which can be arrived at where we think of ourselves as living in some sort of vector space where our operators(matrices) and our vectors can be infinite dimensional.
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