IEEE BATCH FORMAT OF consider a particle within a higher
ENGINEERING PHYSICS dimensions as demonstrated
elsewhere for a quantum particle in a
BATCH-05
2D box. Here we continue the
SECTION-09 expansion into a particle trapped in a
COURSE:BTECH 3D box with three lengths Lx, Ly
and Lz.
BRANCH:CSE
As with the other systems, there is
SEMESTER:02 NO FORCE (i.e., no potential)
BATCH MEMBERS: acting on the particles inside the
box .
KAKARLA HEMANTH DATTU
REG ID:241FA04571
BRUNDA ADDAGALLA
REG ID:241FA04606
SHAIK DADA VALI
REG ID:241FA04612 A particle in a 3-D box scheme with
DEV RAJ equal lengths on all three
dimensions The potential for the
REG ID:241FA04624
particle inside the box is V(r⃗ )=0
when , 0≤x≤Lx
0≤y≤Ly
ENERGY EIGEN VALUES OF A
0≤z≤Lz
PARTICLE IN INFINITE 3D
POTENTIAL BOX Lx<x<0
The quantum particle in the 1D box Ly<y<0
problem can be expanded to Lz<z<0
r⃗ is the vector with all three each term must equal its own
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- constant.
Independent Schrödinger Equation.
Since we are dealing with a 3- Now we can add all the energies
dimensional figure, we need to add together to get the total energy:
the 3 different axes into the εx+εy+εz=E
Schrödinger equation
we have now reduced the 3D box
into three particle in a 1D box
problems
The easiest way in solving this
partial differential equation is by
having the wavefunction equal to
a product of individual function for Use the normalization wavefunction
each independent variable (e.g., equation for each variable:
the Separation of
Variables technique):
ψ(x,y,z)=X(x)Y(y)Z(z) Normalization wavefunction
equation for each variable
E is an energy constant, and is the
sum of x, y and z. For this to work, nx=1,2,3,...∞
ny=1,2,3,...∞
nz=1,2,3,...∞
Combined equation of wave
function inside a 3D potential box is
Combining this expression with the
time-independent Schrödinger
equation gives
The time-independent Schrödinger
equation for a spin-less particle of
Hence the total energy is
mass m moving
under the influence of a three-
dimensional potential is
ENERGY EIGEN VALUES OF A
PARTICLE IN 3D HARMONIC
OSCILLATOR Hence the total energy is
Ex + Ey
+ Ez = E.
Now, for the harmonic oscillator in
three-dimension, we begin with the
anisotropic oscillator, which displays
One problem with this classical no symmetry, and then consider the
formulation is that it is not general. isotropic oscillator where the
We cannot use it, for example, to x, y and z axes are all equivalent.
describe vibrations of diatomic
molecules, where quantum effects Anisotropic Harmonic Oscillator
are important. A first step toward a Consider a particle is moving in a
quantum formulation is to use the 3D anisotropic oscillator potential
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 The energy eigenvalues
written in a more general form, corresponding to the potential can be
expressed as
energy is 7hω/2.
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
REFERENCES
https://web1.eng.famu.fsu.edu/~dommelen/quantum/style_a/harm.html
https://chem.libretexts.org/Courses/Pacific_Union_College/Quantum_Chemistry/03%3A_Th
e_Schrodinger_Equation_and_a_Particle_in_a_Box/3.09%3A_A_Particle_in_a_Three-
Dimensional_Box
