Compute the energy for 2D wave function with discontinuous derivatives

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SUMMARY

The discussion focuses on computing the energy for a 2D wave function with discontinuous derivatives, specifically addressing the normalization constant and the evaluation of integrals involving delta functions. The user presents two key equations derived from the Laplacian operator applied to the wave function, which involve discontinuities. The integrals to be computed include terms with delta functions that arise from the symmetry of the problem, and the user seeks validation of their integral limits and contributions. The results indicate that certain delta-function contributions do not affect the overall calculation.

PREREQUISITES
  • Understanding of 2D wave functions and their properties
  • Familiarity with delta functions and their applications in quantum mechanics
  • Knowledge of partial differential equations, specifically the Laplacian operator
  • Experience with integral calculus in multiple dimensions
NEXT STEPS
  • Review the properties of delta functions in quantum mechanics
  • Study the application of the Laplacian operator in wave function normalization
  • Explore techniques for handling discontinuous derivatives in wave functions
  • Investigate numerical methods for evaluating integrals involving delta functions
USEFUL FOR

Physicists, mathematicians, and students studying quantum mechanics, particularly those working with wave functions and their properties in two-dimensional systems.

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Homework Statement
Hi,

I am given the following set of trial wave functions depending on some parameter alpha.

[tex]
\psi(x,y) = \begin{cases}
A \left(1 - |xy|/a^2\right) e^{- \alpha} & |x| \leq a,\, |y| \leq a \\
A \left(1 - |x|/a\right) e^{- \alpha |y| / a} & |x| \leq a,\, |y| > a \\
A \left(1 - |y|/a\right) e^{- \alpha |x| / a} & |x| > a,\, |y| \leq a \\
0 & \text{else} \\
\end{cases}
[/tex]

where a > 0 and asked to show that the expectation value of the free Hamiltonian reads:

[tex]
<\psi | H | \psi> = \frac{3 \hbar^2}{m a^{2}} \left( \frac{a^{2} + 2 \alpha + 3}{6 + 11 \alpha} \right)
[/tex]
Relevant Equations
[tex]
H = - \frac{\hbar^{2}}{2m} \left( \frac{\partial^{2}}{\partial x^{2}} + \frac{\partial^{2}}{\partial y^{2}} \right)
[/tex]
I have calculated the normalization constant, but I'm struggling with the discontinuities in the derivatives of the wave function. Due to the symmetry, it should suffice to consider the first two cases. The results should be (according to WolframAlpha):

<br /> \left( \frac{\partial^{2}}{\partial x^{2}} + \frac{\partial^{2}}{\partial y^{2}} \right) \left(1 - |xy|/a^2\right) e^{- \alpha} = -2 e^{-\alpha} (x^2 + y^2) \delta(x y)/a^2<br />

and

<br /> \left( \frac{\partial^{2}}{\partial x^{2}} + \frac{\partial^{2}}{\partial y^{2}} \right) \left(1 - |x|/a\right) e^{- \alpha |y| / a} =<br /> (1 - |x|/a) \left( \frac{ \alpha^2 e^{-\alpha |y|/a}}{a^2} - \frac{2 \alpha \delta(y)}{a}\right) - \frac{2 \delta(x) e^{-\alpha |y|/a}}{a}<br />

Then, again for symmetry reasons, I assume that I need to compute three integrals, namely:

<br /> -2 \int_{-a}^{a} \mathrm{d}x \int_{-a}^{a} \mathrm{d}y \left(1 - |xy|/a^2\right) e^{- 2 \alpha} x^2 \delta(xy)<br />

(first equation, term with y^2 should give the same result)

<br /> \int_{0}^{a} \mathrm{d}x \int_{a}^{\infty} \mathrm{d}y \left(1 - x/a\right)^{2} e^{- 2 \alpha y / a} \frac{\alpha^{2}}{a^{2}}<br />

(first term in the second equation)

<br /> - \frac{2}{a} \int_{-a}^{a} \mathrm{d}x \int_{a}^{\infty} \mathrm{d}y \left(1 - |x|/a\right) e^{- 2 \alpha y / a} \delta(x)<br />

(third term in the second equation, the second should not contribute)

Could someone check if those integrals (including the limits) are correct? I get the wrong result when adding them up (assuming that the first integral contributes twice, the second eight times and the third four times)... I would just like to know if I'm completely on the wrong track or just made a mistake in the calculation.

Thanks a lot!
 
Physics news on Phys.org
##\nabla^2 \psi(x,y)## produces four cases of delta-function expressions that will occur along certain lines in the x-y plane. These lines are indicated by the colored lines in the figure below:

245786

By symmetry, each of the different colors contributes either 4 or 8 times. You should be able to see that the delta-function that occurs along the red line will not contribute when calculating ##\iint \psi \nabla^2 \psi \,dx\,dy ##. So, that leaves the three cases: blue, green, and orange. You can find the form of the delta function expression for each of these cases by looking at the discontinuity in either ##\frac{\partial \psi}{\partial x}## or ##\frac{\partial \psi}{\partial y}## when crossing perpendicularly one of the colored lines.
 

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