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In variational principle problem; we need to find $\frac{d^2\psi}{dx^2}$ to find $\langle T \rangle$; if \begin{align} \psi = \begin{cases} A \cos ( \pi x / a ) , & -a/2<x<a/2\\ 0 , & \text{otherwise} \end{cases} \end{align} Then, how does $\frac{d^2\psi}{dx^2}$have delta functions at $x= \pm a/2$? This means that $\frac{d\psi}{dx}$ has a Heaviside function; but I can't figure out the Heaviside either.

Quoting from Grifthhs:

We do not need to worry about the kink at $\pm a/2$. It is true that $\frac{d^2 \psi }{dx^2}$ has delta functions there, but since $\psi(\pm a/2) = 0$ no “extra” contribution to $\langle T\rangle $ comes from these points.

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  • $\begingroup$ Maybe you can express $\psi$ via a rectangular function, which admits a representation in terms of Heaviside functions? $\endgroup$ Commented Dec 11, 2022 at 13:50
  • $\begingroup$ Please use MathJax $\endgroup$ Commented Dec 11, 2022 at 13:51

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The "delta functions" that Griffiths is talking about arise from the discontinuity of $\psi'(x)$. This does not necessarily mean that the definition of $\psi'(x)$ actually has Heaviside step functions in it (though you can think of it as such.)

If we take the derivative of $\psi$ we get \begin{align} \psi'(x) = \begin{cases} - \frac{\pi A}{a} \sin ( \pi x / a ) & -a/2<x<a/2\\ 0 & \text{otherwise} \end{cases}. \end{align} This is discontinuous at $x = \pm a/2$; in particular, we have $$ \lim_{\epsilon \to 0} \left[ \psi'(a/2 + \epsilon) - \psi'(a/2 - \epsilon) \right] = \frac{\pi A}{2}. $$ But we also have $$ \lim_{\epsilon \to 0} \left[ \psi'(a/2 + \epsilon) - \psi'(a/2 - \epsilon) \right] = \lim_{\epsilon \to 0} \left[ \int_{a/2 - \epsilon}^{a/2 + \epsilon} \psi''(x) \, dx \right] $$ and since this integral does not vanish in the limit as $\epsilon \to 0$, it must be the case the $\psi''(r)$ (defined as a distribution) includes a delta-function at $x = a/2$. Similar logic applies to the point $x = - a/2$.

That said, if you really insist on the idea that $\psi'(x)$ must have step functions in it, you can take the approach suggested in the comments and rewrite it as $$ \psi'(x) = - \frac{\pi A}{a} \sin \left( \frac{\pi x}{a} \right) \left[ \Theta\left( x + \frac{a}{2} \right) - \Theta \left( x - \frac{a}{2} \right) \right]. $$ But this sort of rewriting rapidly becomes cumbersome for more complicated functions. In contrast, the "integral proof" above can be extended straightforwardly to show that any discontinuity in $f^{(n)}(x)$ implies that $f^{(n+1)}(x)$ has a delta function in its distributional derivative.

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What Griffith wrote means that if you take the second derivative of the proposed wavefunction, it is \begin{align} \psi'' = \begin{cases} -A \left( \frac{\pi}{a} \right)^2 \cos ( \pi x / a ) \left( \delta(x+a)-\delta(x-a)\right), & -a/2<x<a/2\\ 0 , & \text{otherwise} \end{cases} \end{align} However, the contribution of the two deltas to every integral where $\psi''$ is multiplied by a function regular at $\pm a$ is zero due to the vanishing of the cosinus at these two points.

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