Quantum Mechanics – Quantum Free Particle in Spherical Coordinates: Detailed Analysis

boundary conditionscoordinate systemsquantum mechanicsschroedinger equationwavefunction

I am trying to understand free particle in both cartesian and spherical coordinate. So a free particle going in, say $x$ direction with some energy $E$. We know the wavefunction of such particle is:

$$\psi(x)=Ae^{ikx} + Be^{-ikx}.\tag{1}$$

Now lets do the same calculation in spherical coordinate and derive the wave function. In Spherical equations take the following form with $\psi(r,\theta,\phi)=R(r)Y(\theta,\phi)$:

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Now the angular part, $Y$, I can take it as constant, and $l=0$ as there is no angular momentum. Now if I solve now the radial part using the substitution $u=rR(r)$, and $V=0$, I get $u=Ce^{ikr}+De^{-ikr}$, and hence $R=\frac {1}{r}(Ce^{ikr}+De^{-ikr}).$

Now I know that $\theta=\pi/2, \phi=\pi/2$, and hence $x=rsin(\theta)sin(\phi)=r$, Now clearly just by substituting $r$ with $x$, I am unable to recover my cartesian solution as described above (eq. 1). Moreover at $r\to0$, the solution blows up which was not happening in the cartesian solution.

I am unable to understand this dilemma, that solution should be identical in both coordinates but they are giving me different results!

Best Answer

  1. Technically, a spherical coordinate system is defined in 3-space $\mathbb{R}^3\backslash\{0\}$ except the origin $r=0$. Therefore, spherical coordinates are a poor description of the system at the origin $r=0$.

  2. The free particle itself has no beef with the origin. There is no actual physical boundary conditions at the origin. The moral is that we shouldn't use a spherical coordinate system to describe a translation invariant system, since it artificially distinguishes a point of the system.

  3. Now say that we nevertheless choose to use spherical coordinates. So we have to give up the description at $r=0$. Hence we are effectively studying the free particle on $\mathbb{R}^3\backslash\{0\}$ instead. For each $\ell\in\mathbb{N}_0$, the radial TISE has 2 modes: One of them diverges as $r\to 0$, the other is regular. That's fine, because as far as our new description goes, $r=0$ no longer exists. Also note that the divergent modes are needed if we try to translate them into the rectangular modes of a rectangular coordinate system.

  4. Up until now we have discussed scattering states of the free particle. The situation is different for bound states. There additional physical boundary conditions may arise at the origin, cf. e.g. this & this Phys.SE posts.