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Quantum Mechanics Course Microsoftpowerpoint-Harmonicoscillator-Bruteforceapproach
Quantum Mechanics Course Microsoftpowerpoint-Harmonicoscillator-Bruteforceapproach
Quantum HO
Simple Harmonic Motion
One of the most commonly encountered problems in quantum mechanics is
that of the HARMONIC OSCILLATOR
* This is equivalent to the problem of SIMPLE HARMONIC MOTION in
classical systems
* Such harmonic motion is known to be described by a SECOND ORDER
differential equation of the form
d 2x
2
= − ω 2
x (13.1)
dt
⇒ In this equation w is the FREQUENCY of the harmonic motion and
the solutions to Equation 13.1 correspond to OSCILLATORY behavior
⇒ Examples of CLASSICAL systems that exhibit simple harmonic
motion include an oscillating mass on a SPRING and the motion of a simple
PENDULUM
⇒ Examples of QUANTUM harmonic oscillators include the
VIBRATING ATOMS in crystals and the motion of ELECTRONS in a
magnetic field
Simple Harmonic Motion
For a particle of mass m Equation 13.1 implies that the particle moves under the
influence of a POSITION-DEPENDENT force
F ( x) = − mω 2 x (13.2)
* By INTEGRATING this equation we obtain the corresponding POTENTIAL-
ENERGY variation of the particle
x 1
V ( x) = V ( xo = 0) − ∫ F ( x)dx = mω 2 x 2 (13.3)
xo = 0 2
1 1
E= p ( x) 2 + mω 2 x 2 (13.4)
2m 2
Simple Harmonic Motion
• Equation 13.4 shows that at the ORIGIN of the motion the potential energy is
equal to ZERO and the momentum is MAXIMAL
1
E= p ( x = 0) 2 (13.5)
2m
* As the particle moves away from the origin however its potential energy
INCREASES while at the same time its momentum DECREASES and eventually
reaches zero
⇒ These TWO points define the MAXIMAL extent of oscillation which
increases as the total energy of the particle increases
ℏ 2 ∂ 2ψ ( x) 1
− + mω x ψ ( x) = Eψ ( x)
2 2
(13.6)
2m ∂x 2
2
∂ 2ψ (ζ )
= (ζ 2
− K )ψ (ζ ) (13.9)
∂ζ 2
The Quantum Harmonic Oscillator
To begin with we note that for large values of z (x) Equation 13.9 may be
approximated as
∂ 2ψ (ζ )
≈ ζ 2
ψ (ζ ) (13.10)
∂ζ 2
* The corresponding wavefunction solutions to this equation are
−ζ 2 / 2 ζ 2 /2
ψ (ζ ) ≈ Ae + Be (13.11)
⇒ The second term in this equation can be NEGLECTED since it DIVERGES
for large z while we know that the range of the particle should be FINITE
* The ASYMPTOTIC form to Equation 13.11 suggests that we write the FULL
solutions to the wavefunction (valid for ALL values of z) as
−ζ 2 / 2
ψ (ζ ) = h(ζ )e (13.12)
The Quantum Harmonic Oscillator
By introducing the wavefunction solution of Equation 13.12 into Equation 13.9 the
Schrödinger equation now becomes
∂ 2 h(ζ ) ∂h(ζ )
− 2ζ + ( K − 1) h(ζ ) = 0 (13.13)
∂ζ 2 ∂ζ
∂h(ζ ) ∞
= ∑ iaiζ i −1 (13.15)
∂ζ i=0
∂ 2 h(ζ ) ∞
= ∑ i (i − 1)aiζ i − 2 (13.16)
∂ζ 2
i=0
The Quantum Harmonic Oscillator
Through substitution of Equations 13.15 & 13.6 our Schrödinger equation now
becomes
∞
* The only way in which this equation can be satisfied for ALL values of i is if
the coefficient of EACH power of z VANISHES
(i + 1)(i + 2)ai + 2 − 2iai + ( K − 1)ai = 0 (13.18)
* There is a PROBLEM with our discussion however since NOT all the solutions
obtained in this way can be normalized!
1 1 2k
h(ζ ) ≈ c∑ ζ i ≈ c∑ ζ ≈ ceζ
2
(13.24)
(i / 2)! (k )!
* These solutions have exactly the form that we DON’T want however since
the exponential term DIVERGES in the limit of infinite z (x)
* The only way out of this problem is to require that our recursion formula
(Equation 13.19) TERMINATES at some given value of n
( 2n + 1 − K )
an + 2 = an (13.19)
(n + 1)(n + 2)
* This CRUCIAL equation tells us that the modes of vibration of the quantum
oscillator are QUANTIZED
* For these quantized energies our RECURSION FORMULA may now be
written as
(2i + 1 − K ) − 2( n − i )
ai + 2 = ai = ai (13.28)
(i + 1)(i + 2) (i + 1)(i + 2)
n = 0 : h0 (ζ ) = a0 ∴ ψ 0 (ζ ) = a0 e −ζ
2
/2
(13.29)
n = 1 : h1 (ζ ) = a1ζ ∴ ψ 1 (ζ ) = a1ζe −ζ
2
/2
(13.30)
−ζ 2 / 2
n = 2 : h2 (ζ ) = a0 (1 − 2ζ ) ∴ ψ 2 (ζ ) = a0 (1 − 2ζ )e
2 2
(13.31)
The Quantum Harmonic Oscillator
In general the function hn(z) will be a POLYNOMIAL of degree n in z involving
ONLY either odd or even powers
* Apart from the overall factor (a0 or a1) they are known as HERMITE
POLYNOMIALS Hn(z)
* The arbitrary multiplicative factor is chosen so that the coefficient of the
highest power of z is 2n and the NORMALIZED wavefunctions are given as (see
Appendix)
mω mω
1/ 4
1
ψ n ( x) = H n (ζ )e −ζ , ζ ≡
2
/2
x (13.32)
πℏ 2 n!n ℏ
H0 = 1 H4 = 16x4 – 48x2 + 12
H2 = 4x2 – 2
H3 = 8x3 – 12x
1 2n + 1
(n + 1/ 2)ℏω0 = mω0 xn → xn = ±
2 2
2 β2
Handy integrals of Eigenfunctions of the
SHO
Position and momentum expectation values
En
x = 0 → ( ∆x )n = x 2
=
n n mω0 2
p n
= 0 → ( ∆p )n = p 2
= mEn
n
( ∆x )n ( ∆p )n = En / ω0 = (n + 1/ 2)ℏ
Appendix
ψ n ( x) = cn H n (ζ )e −ζ
2
/2
( A13.1)
∂F ( s, ζ ) ∞ ∂H n (ζ ) s n
=∑ ( A13.3)
∂ζ n=0 ∂ζ n!
Appendix
• To determine the derivative on the RHS of Equation A13.3 we note that the derivatives of
the Hermite polynomials satisfy
∂H n (ζ )
= 2nH n−1 (ζ ) ( A13.4)
∂ζ
∂F ( s, ζ )
= 2 sF ( s, ζ ) ( A13.5)
∂ζ
∞ s n 2 sζ
F ( s, ζ ) = F ( s, 0)e 2 sζ
= ∑ H n ( 0) e ( A13.6)
n = 0 n!
• We have seen that Hn(0) = 0 for ODD values of n while for EVEN values
n!
H n (0) = (−1) n / 2 ( A13.7)
(n / 2)!
∞
s 2k
F ( s, 0) = ∑ (−1) = e−s
2
k
( A13.8)
k =0 k!
* This leads to the FINAL simple form for the GENERATING FUNCTION
−2 sζ ζ 2 − ( s −ζ ) 2
F ( s, ζ ) = e −s2
e =e ( A13.9)
Appendix
• We now note that the generating function has been defined such that
∂n
H n (ζ ) = n F ( s, ζ ) ( A13.10)
∂s s=0
n ζ2 ∂ n −ζ 2
H n (ζ ) = (−1) e e ( A13.11)
∂ζ n
∞
I = ∫ F ( s, ζ ) F (t , ζ )e −ζ 2
dζ ( A13.12)
−∞
Appendix
2 n s nt n
I= π∑ ( A13.13)
n n!
* On the other hand we could use our original definition of the generating function
(Equation A13.4) to write the integral I as
∞
⌠ ∞ sn ∞ t n −ζ 2
I = ∑ H n (ζ ) ∑ H n (ζ ) e dζ
⌡ n=0 n! n = 0 n!
−∞
∞ ∞
sn tn ∞
=∑ ∑ ∫ H n (ζ ) H n (ζ )e −ζ dζ
2
( A13.14)
n = 0 n! n = 0 n! −∞
∞ ∞
∫ψ ( x)ψ n ( x)dx = c c ∫ H n* (ζ ) H n (ζ )e −ζ dζ = 1
2
* *
n n n ( A13.16)
−∞ −∞
1 1
cn*cn = ∴ c = ( A13.15)
π 2 n n! ( π 2 n n!)1/ 2
n
mω mω
1/ 4
1
ψ n ( x) = H n (ζ )e −ζ , ζ ≡
2
/2
x (13.32)
πℏ n
2 n! ℏ