Wa0028.
Wa0028.
COURSE :- B. Tech
MODULE:-02
ASSIGNMENT:-T-2
A particle in a 3-D box scheme with equal lengths on all three dimensions
The potential for the particle inside the box is V(r⃗ )=0
when , 0≤x≤Lx
0≤y≤Ly
0≤z≤Lz
Lx<x<0
Ly<y<0
Lz<z<0
r⃗ is the vector with all three components along the three axes of the 3-D
box: r⃗ =LxX^+LyY^+LzZ^. When the potential energy is infinite, then the wavefunction
equals zero. When the potential energy is zero, then the wavefunction obeys the Time-
Independent Schrödinger Equation.
Since we are dealing with a 3-dimensional figure, we need to add the 3 different axes into
the Schrödinger equation
The easiest way in solving this partial differential equation is by having the wavefunction
equal to a product of individual function for each independent variable (e.g., the Separation
of Variables technique):
ψ(x,y,z)=X(x)Y(y)Z(z)
E is an energy constant, and is the sum of x, y and z. For this to work, each term must equal
its own constant.
Now we can add all the energies together to get the total energy: εx+εy+εz=E
we have now reduced the 3D box into three particle in a 1D box problems
Use the normalization wavefunction equation for each variable:
nx=1,2,3,...∞
ny=1,2,3,...∞
nz=1,2,3,...∞
Combined equation of wave function inside a 3D potential box is
One problem with this classical formulation is that it is not general. We cannot use it, for
example, to describe vibrations of diatomic molecules, where quantum effects are
important. A first step toward a quantum formulation is to use the classical expression
k=m ω 2 to limit mention of a “spring” constant between the atoms. In this way the potential
energy function can be written in a more general form,
Combining this expression with the time-independent Schrödinger equation gives
where Xnx(x), Yny(y), and Znz(z) are one-dimensional harmonic oscillator wave functions. These
states are not degenerate, because the potential has no symmetry (it is anisotropic).
Isotropic Harmonic Oscillator
Consider now an isotropic harmonic oscillator potential. Its energy eigenvalues can be
inferred from by substituting ωx = ωy = ωz = ω
Since the energy depends on the sum of nx, ny, nz, any set of quantum numbers having
the same sum will represent states of equal energy.
The ground state, whose energy is E000 = 3hω/2, is not degenerate. The first excited
state is threefold degenerate, since there are three different states, ψ100, ψ010, ψ001 that
correspond to the same energy 5hω/2. The second excited state is sixfold degenerate; its
energy is 7hω/2.
Thank you