Quantum Mechanics
Schrodinger equation
Quantum Mechanics
Propagators : Pg
Quantum Simple Harmonic Oscillator QSHO
Quantum Mechanics
Simulation With GNU Octave
© The scientific sentence. 2010
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Hermite polynomials
1. Hermite polynomials
In Physics, Hermite polynomials are used give determine the
eigenstates of the quantum harmonic oscillator. They are the
set of sequences:
The Hermite differential equation is:
y"(x) - 2xy'(x) + 2ny(x) = 0
The solution of this non-linear second-order ordinary differential
equation is the set of Hermite polynomials.
Hn = (- 1)n exp{x2} dn(exp{- x2})/dxn.
Hn is the polynomial of degree n.
Here some first sequences:
H0(x) = 1
H1(x) = 2x
H2(x) = 4x2 - 2
H3(x) = 8x3 - 12x
H4(x) = 16x4 - 48x2 + 12
H5(x) = 32x5-160x3 + 120x
The Hermite polynomial are orthogonal with the
weight w(x) = exp{- x2}. Thus:
∫ Hn(x) Hm(x) exp{- x2} dx = δ(n,m) [x: from - ∞ to ∞]
Recursion relations
Hn+1(x) = 2xHn(x)- H'n(x)
H'n(x) = 2nHn - 1(x)
Hn+1(x) = 2xHn(x) - 2nHn- 1(x)
2. Quantum Simple Harmonic Oscillator (QSHO)
2.1. Schrödinger’s Equation for QSHO
The Schrödinger’s equation for QSHO is:
- ħ 2/2m Ψ"(x) + (1/2) k x2 Ψ(x) - E Ψ(x) = 0
or:
Ψ"(x) + [ (2m/ħ2)E - (mk/ħ2) x2]Ψ(x) = 0
Where 2πħ is the Planck constant,
m is the mass of the particle, k is the spring constant and
E is the energy of the particle.
Let's write:
x = z/α then:
Ψ'(x) = α Ψ'(z)
Ψ"(x) = α2 Ψ"(z)
Therefore
α2 Ψ"(z) + [ (2m/ħ2)E - (mk/ħ2) (z/α)2]Ψ(x) = 0
Dividing by α2 , yields:
Ψ"(z) + [ (2m/ħ2 α2 )E - (mk/ħ2) (z2/α)4]Ψ(x) = 0
Let's define: km/ħ2α4 = 1, so
α4 = mk/ħ2
We have then:
Ψ"(z) + [ (2m/ħ2 α2 )E - z2]Ψ(x) = 0
Now, let's define:
Ψn (z) = exp{- z2/2} Hn(z)
Therefore:
Ψ'n (z) = - z Ψn (z) + exp{- z2/2} H'n(z)
Ψ"n (z) = - Ψn - zΨ'n (z) + exp{- z2/2} H"n(z)
- z exp{- z2/2} H'n(z) =
Ψ"(z)n (z) = - Ψn - z [- z Ψn (z) +
exp{- z2/2} H'n(z)] + exp{- z2/2} H"n(z)
- z exp{- z2/2} H'n(z)
= - Ψn + z2Ψn (z) - z exp{- z2/2} H'n(z) +
exp{- z2/2} H"n(z) - z exp{- z2/2} H'n(z)
= (z2 - 1)Ψn (z) - 2xexp{- z2/2} H'n(z) + exp{- z2/2} H"n(z)
The Schrodinger's equation becomes:
z2Ψ - Ψn (z) - 2 z exp{- z2/2} H'n(z) +
exp{- z2/2} H"n(z) + [ (2mE/ħ2α2) - z2]Ψ(z) = 0
Or:
- 2 z H'n(z) + H"n(z) + [ (2mE/ħ2α2) - 1]H(z) = 0
Rearranging:
H"n(z) - 2 z H'n(z) + [(2mE/ħ2α2) - 1]H(z) = 0
then the Schrodinger's equation becomes the Hermite
equation with:
2mE/ħ2α2) - 1 = 2n, so
E = (ħ2α2/2m) (2n + 1)
We have α2/2m = (k/m)1/2/2ħ, then
E = (ħ2(k/m)1/2/2ħ) (2n + 1)
= (ħ(k/m)1/2) (n + 1/2)
Let's write:
ω2 = k/m
Therefore:
E = ħω (n + 1/2)
E = ħω (n + 1/2)
The wave function becomes:
Ψn (z) = Ψn (z) = exp{- z2/2} Hn(z)
is the solution of the schrodinger equation, with
z = α x
α4 = mk/ħ2.
E = (ħ2α2/2m) (2n + 1)
2.2. Normalization of the function Ψn (z)
The hermite polynomials are orthogoal as follows:
∫ exp{- z2} Hn(z) Hm dz = (2n π1/2 n!)δ(n,m) [from _∞ to ∞]
Then:
∫ |Ψn (z)|dz = 1, so
∫ N2 exp{- z2} H2n(z) = 1 [from _∞ to ∞]
Then
N = [n!2n π1/2]- 1/2
Therefore:
Ψn (z) = [n! 2n π1/2]- 1/2 exp{- z2/2} Hn(z)
or:
Ψn (x) = [n! 2n π1/2]- 1/2 exp{- (αx)2/2} Hn(x)
The results are:
Ψn (x) = [n! 2n π1/2]- 1/2 exp{- (αx)2/2} Hn(x)
E = (ħ2α2/2m) (2n + 1) = ħω (n + 1/2)
α4 = mk/ħ2 ω2 = k/m
The energy is not null even at the ground
state where n = 0.
The transition energy between states is ħω.
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