Partial waves

Now let us study the situation when V(r) is not zero.  In any central potential V(r), the common eigenfunctions of H, L2 and Lz are of the form Here ukl(r) is the solution to the radial equation

With we have

with the boundary condition ukl(0)=0. If U(r)®0 as r®¥ the equation reduces to

with the general solution ukl(r)=Aeikr+Be-ikr.

[We expect the solution of the eigenvalue equation to behave as ukl(r)=F(r)e±ikr for large r, with F(r) a slowly varying function of r, as long as U(r)®0 as r®¥.  If rU(r)®0 for large r, it can be shown that F(r) converges and ukl(r)=Ce±ikr for large r.

For the Coulomb potential

Here C is a constant.  The radial solution never approaches the sinusoidal free particle solution, since there is always a logarithmic contribution to the phase at great distances, that cannot be neglected.]

For a potential that falls off faster than the Coulomb potential as r approaches infinity, the asymptotic behavior of the stationary state partial waves is ukl(r)=Aeikr+Be-ikr. is a superposition of an incoming and outgoing spherical wave.  Since we have a stationary state, we need |A|=|B|.  We therefore have

The real phase bl is found by matching the asymptotic solution to the solution in the region where U(r) is not zero.  If U(r) is the null potential, (a free particle), then

We take this value as a reference point and write

 

dl is called the phase shift of the lth partial wave.

The asymptotic form of a free spherical wave is

At infinity it is a superposition of a incoming and an outgoing wave with equal amplitudes an a phase difference of lp.  The asymptotic form of a partial wave is

with At infinity it is a superposition of an incoming and an outgoing wave, but the outgoing wave has accumulated a phase shift 2dl relative to the free outgoing wave in a null potential V(r)=0.

If V(r)=0 for r>r0 and bl(k)=(1/k)(l(l+1))1/2>r0, then the potential has virtually no effect on the partial wave fklm(r).  The incoming wave turns back before reaching the zone of influence of V(r).  For partial waves fklm(r) such that the phase shift dl is therefore approximately zero.  The shorter the range of the potential or the lower the incident energy, the fewer partial waves have non zero phase shift.

The scattering cross section in terms of phase shifts

We now want to find a linear superposition of partial waves whose asymptotic behavior is of the form

 

The plane wave may be expanded in terms of free spherical waves.  It does not depend of f.

is an eigenfunction of Lz with eigenvalue   We therefore find that

Multiplying by Pl’(cosq) and integrating over the solid angle yields

Since the right hand side yields

is a well-known integral representation of the spherical Bessel function jl’(kr).

We therefore have and

As

Symmetry demands that in a spherically symmetric potential fk(r,q,f) and fk(q,f) are also independent of f.  We write

i.e. fk(r,q) is an expanded in terms of Legendre polynomials.  We want

 

Using  this equation becomes

The constants bl are found by equating the coefficients of e-ikrPl(cosq) on the two sides of this equation. We can then find fk(q) by equating the coefficients of eikrPl(cosq) on the two sides of the equation.

Therefore

and

 

Since  the cross products in the summation vanish and we have

This can also be written as

The relationship between the total cross section and the forward scattering amplitude is called the optical theorem. It also remains true for inelastic scattering processes.  The total cross section represents the removal of flux from the incident beam.  This removal results from destructive interference between the incident and the scattered beam in the forward direction and is proportional to the imaginary part of f(0).

Note: Finding the cross section by the method of partial waves necessitates finding the phase shift dl for all l.  The method is only practical if there are only a small number of non zero phase shifts.

The scattering cross section s(q) depends on the energy of the incident particle and on the scattering angle q.  Rapid variations of the total cross section in the neighborhood of certain energies are called scattering resonances.

Problems:

Find sk(q) and sk for the scattering of a particle from a perfectly rigid sphere (an infinitely repulsive potential) of radius a. Choose the energy of the particle such that ka<<1.
Solution:
V(r)=0, for r>a, and V(r)= ¥ for r<a. Since ka <<1, for all l except l=0.  We can neglect all phase shifts except that of the s-wave. Then and To calculate d0 we must solve the radial equation for l=0.

yields uk0(0)=Csin(kr-ka), r>a and uk0(0)=0, r<a. As r ®¥ we expect ukl(r) to be of the form We therefore have d0 =-ka. The phase shift is negative, the wavefunction is "pushed out".

We now have and sk=4pa2.  The total cross section is independent of energy (as long as ka<<1) and equal to four times the geometrical cross section of the hard sphere.  Classical mechanics would have yielded pa2.  Low energy scattering means very large wavelength scattering, and we do not necessarily expect a classically reasonable result.

[But for high energy scattering off a hard sphere we might expect the classical result.  However we obtain sk=2pa2 twice the geometrical cross section.  This is called shadow scattering.  If the wavelength of the incident particle is very small compared to a, then the sphere will cast a shadow.  Directly behind the sphere we will find no scattered particles, but the shadow will extend only up to a finite distance.  Very far away from the sphere we will not see the shadow at all, so it must get filled in by scattering of some of the waves at the edges of the sphere.  The scattered flux must have the same magnitude as the flux that is taken out of the incident beam by the geometrical cross section of the sphere in order to fill in the shadow.  The total scattering cross section therefore must have twice the magnitude of the geometrical cross section.]

In three dimensions, find the s-wave phase shift of an electron with kinetic energy E=1.0 eV scattering from the repulsive square well potential V(r)=V0, for r<a, V(r)=0, for r>a, where V0>E.  Find both the analytical and numerical result (in radians).
a=2aB =1.06 Å, me=0.91 ´ 10-27g, V0=5eV, 1eV=1.6 ´ 10-12ergs.
Solution:
To calculate d0 we must solve the radial equation for l=0.

Here

Therefore

 

We need to be continuous at r=a. This yields

and

or

We have

ka=0.54, ka<1, s-wave scattering dominates.

The phase shift is negative, the wavefunction is "pushed out".

A slow particle is scattered by a spherical potential well of the form V(r)=-V0, for r<a, V(r)=0, for r>a.
(a)  Write down the radial wave equation for this potential and boundary conditions that apply at r=0, r=a, and r=¥.
(b)  Assume that the de Broglie wavelength exceeds the dimension of the well, so that s-wave scattering dominates and write solutions both inside and outside the r=a sphere.  Using the continuity conditions at r=a, calculate the phase shift that occurs at this boundary.
Solution:
(a)  is the radial equation.

Here

We need to be continuous at r=a, and ukl(r) to stay finite at infinity.

(b) To calculate d0 we must solve the radial equation for l=0.

Therefore

 

We need to be continuous at r=a. This yields

and

or

We have

Let us look in more detail at low energy scattering.  We want to investigate the dependence of d0 on the depth of the potential well. If ka<<1 and d0<1, then tan(ka+d0) »tand0+ka.  We have

If U0 is very shallow then tand0 »d0 is positive and very small, d0 lies in the first quadrant.  If we increase the depth of the well the phase shift increases.  The phase shift is positive, the wavefunction is "pulled in".  At some point will go through p/2.  This is the condition for the appearance of a bound state.  The well is now just deep enough to support one bound state. When we have d0=p/2.  The phase shift will go through p/2.  The scattering cross section then is proportional to k-2 and goes to infinity as the energy goes to zero.  This is called a resonance.  It occurs when there is a bound state with E approximately zero.

If we further increase the depth of the well, the curvature of the wavefunction inside the well will increase and the wavefunction will be" pulled in" further; d0 will increase and at some point will become p.  The cross section is zero when the phase shift is p, s-wave scattering does not contribute to the scattering cross section.  This is the explanation for the Ramsauer-Townsend effect, the extremely low minimum observed in the scattering cross section of electrons by rare gas atoms at about 0.7 eV bombarding energy.  This effect is analogous to the perfect transmission found at particular energies in a one dimensional problem.  The Ramsauer-Townsend effect cannot occur with a repulsive potential, since ka would have to be at least p to make d0=p. A potential of this large range produces higher l phase shifts.

As the depth of the potential increases further, we again have

The phase shift d0, however now lies in the third quadrant.  We write

If we make the potential deeper still, a second bound state will appear when Again we have a resonance.  In general we write

where n is the number of bound states supported by the potential well.