Beruflich Dokumente
Kultur Dokumente
Richard Sear
This lecture
Laplacian in spherical & circular polar coordinates
Laplace’s PDE in electrostatics
Schrödinger’s (time independent) equation, for the hydrogen
atom
So we will introduce spherical and circular polar coordinates and
apply them to two PDEs: Laplace’s and Schrödinger’s.
∂2u
2 1 ∂ 2 ∂u 1 ∂ ∂u 1
∇ u= 2 r + 2 sin θ + 2 2
r ∂r ∂r r sin θ ∂θ ∂θ r sin θ ∂φ2
where r is the distance from the origin, θ is the angle between the
vector r and the z axis, and φ is the angle between the projection
of r onto the xy plane and the x axis. These are the usual
spherical polar coordinates, and are in the little booklet you get
given in exams.
In circular polar coordinates, and for the function u(r , θ), the
Laplacian is
1 ∂2u
2 1 ∂ ∂u
∇ u= r + 2 2
r ∂r ∂r r ∂θ
where r is the distance from the origin, and θ is the angle between
r and the x axis. These are the usual circular polar coordinates.
This in the little booklet you get given in exams, but the notation
is different, there ρ is used instead of r and φ instead of θ, but it is
same expression just with different variable names.
d2 u 2 du
∇2 u = +
dr 2 r dr
VS
R
The sphere is in a large volume with no charges, and we assume that the
potential at infinity is 0 V. So, the two BCs for the volume of space
outside the sphere are at the surface of the sphere and at r → ∞. We
centre the coordinates on the sphere, and then the problem has spherical
symmetry.
Richard Sear PDEs in Spherical and Circular Coordinates
PDEs in Spherical and Circular Coordinates
∇.E(r) = ρ(r)/0
d2 φ(r ) 2 dφ(r )
∇2 φ(r ) = 0 or + =0
dr 2 r dr
Note that φ(r ) is a function of r only, and hence this is an ODE
not an PDE. When the system is spherically symmetric although it
has three Cartesian coordinates, x, y and z, once we move over
into spherical coordinates it is only a function of one variable. The
PDE simplifies into an ODE which makes life much easier.
d2 φ(r ) 2 dφ(r )
+ =0
dr 2 r dr
Thus we try the power law solution
φ(r ) = r β
dφ(r ) d2 φ(r )
= βr β−1 and = β(β − 1)r β−2
dr dr 2
Substituting these in we get
2
β(β − 1)r β−2 + βr β−1 = 0 or β(β − 1)r β−2 + 2βr β−2 = 0
r
Richard Sear PDEs in Spherical and Circular Coordinates
PDEs in Spherical and Circular Coordinates
β 2 − β + 2β = 0 or β(β + 1) = 0
The values of the two constants are set by the two BCs, i.e., to
determine the value of the potential everywhere outside the sphere
we need to not only solve the PDE but also apply two BCs. Two
BCs because it is a second order differential equation.
Richard Sear PDEs in Spherical and Circular Coordinates
PDEs in Spherical and Circular Coordinates
~2 2 e2
− ∇ ψ− ψ = Eψ
2m 4π0 r
where ψ is the wavefunction and E the energy. m is the mass of
the electron. The first and second terms on the left-hand side are
the kinetic energy term and the Coulomb attraction between the
proton and the electron, respectively.
1 h2 0 2 1 2
− ∇ ψ − ψ = E 4π0 /e ψ
2 πme 2 r
where we used ~ = h/2π. Now, we define the Bohr radius as
h2 0
a= = 0.53Å
πme 2
which is a length. We also define an energy U in units of 4π0 /e 2 ,
by setting U = E (4π0 /e 2 ).
1 d2 ψ a dψ 1
− a 2 − − ψ = Uψ
2 dr r dr r
This is the equation that yields the s wavefunctions and their
corresponding energies.
me 4
1 1 1
E= U = × − = −
(4π0 /e 2 ) (4π0 /e 2 ) 2a 820 h2
so
E = −13.6eV = −2.2 × 10−18 J
and a (not normalised) wavefunction
for r in Å’s.