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5.61 Fall 2007 12-15 Lecture Supplement Page

1

Harmonic Oscillator Energies and Wavefunctions via Raising and Lowering Operators

We can rearrange the Schrödinger equation for the HO into an interesting form ... with

1

⎢⎣

⎡ ⎛ !

d ⎞

2 m

⎝⎜ i dx

⎠⎟

2

+ ( m

ω x

)

2 ⎥

⎥⎦

ψ =

1

2 m

⎡⎣ p 2 + ( m

ω x

)

2 ⎤⎦ ψ = E

ψ

H =

1

2 m

⎣ p 2 + ( m

ω x

)

2

⎦ which has the same form as u 2 + v 2 = ( iu

+ v

)( − iu

+ v

)

.

We now define two operators a

±

1

2 !

m

ω

(

∓ ip

+ m

ω x

) that operate on the test function f(x) to yield

( a

− a

+

) f

( x

)

=

⎛ 1

2 !

m

ω

( ip

+ m

ω x

)(

− ip

+ m

ω x

)

⎠ f

( )

=

1

2 !

m

ω

⎡⎣

p

2 +

( m

ω

x

) 2

i m

ω ( xp

px )

⎤⎦

f ( x )

=

{

1

2 !

m

ω

( p

2 + ( m

ω x

) 2

)

2 i

!

[ x , p

}

] f

( ) a

− a

+

=

1

2 !

m

ω

( p

2 + ( m

ω x

) 2

)

+

1

=

2 !

1

ω

H

+

1

2

Which leads to a new form of the Schrödinger equation in terms of a

+

and a

-

H

ψ

= !

ω

⎝⎜

a

− a

+

1

2

⎠⎟

ψ

If we reverse the order of the operators-a

− a

+

a

+ a

-- we obtain …

5.61 Fall 2007 12-15 Lecture Supplement Page

2

H

ψ = !

ω

⎝⎜

⎛ a

+ a

+

1 ⎞

2

⎠⎟

ψ or

!

ω

⎝⎜

⎛ a

± a

±

1 ⎞

2

⎠⎟

ψ

=

E

ψ and the interesting relation a

− a

+

a

+ a

=

[ a a

+

]

= 1

A CLAIM: If ψ satisfies the Schrödinger equation with energy E, then a satisfies it with energy (E+ !

ω ) !

+

ψ

H

( a

+

ψ

)

= !

ω

⎝⎜

⎛ a

+ a

+

1

2

⎠⎟

⎞ ( a

+

ψ

)

= !

ω

⎝⎜

⎛ a

+ a

− a

+

+

1 a

2

+ ⎠⎟

ψ

= !

ω a

+

⎝⎜ a

− a

+

+

1

2

⎠⎟

ψ = a

+

⎨ !

ω

= a

+

⎝⎜ a

+ a

+

1

+

1

2

⎠⎟

ψ

= a

+

(

H

+ !

ω

)

ψ

= (

E

+ !

ω

)

!

ω

( a

⎝⎜

+

ψ

) a

+ a

+

1

2

⎠⎟

+ !

ω

ψ

H

( a

+

ψ )

=

( E

+ !

ω

)

( a

+

ψ )

Likewise, a

-

ψ satisfies the Schrödinger equation with energy (E!

ω ) …

H

( a

ψ

)

= !

ω

⎝⎜

⎛ a

− a

+

1

2

⎠⎟

⎞ ( a

ψ

)

= !

ω

⎝⎜

⎛ a

− a

+ a

1

2 a

− ⎠⎟

ψ = a

!

ω

⎝⎜

⎛ a

+ a

= a

!

ω

⎝⎜ a

− a

+

1

1

2

⎠⎟

= a

(

H

− !

ω ) ψ = a

(

E

− !

ω ) ψ

1

2

⎠⎟

ψ

H

( a

ψ

)

= (

E

− !

ω ) ( a

ψ

)

So, these are operators connecting states and if we can find one state then we can use them to generate other wavefunctions and energies. In the parlance of the trade the a

± are known as LADDER operators or a

+

= RAISING and a

-

= LOWERING operators .

We know there is a bottom rung on the ladder

ψ

0 so that a

ψ

0

= 0

5.61 Fall 2007 12-15 Lecture Supplement Page

3

2 !

1 m

ω ⎝⎜

!

d dx

+ m

ω x

⎠⎟

ψ

0

=

0

Integrating this equation yields d

ψ

0 dx

= − m

ω

!

x

ψ

0

d

ψ

0

ψ

0

= − m

ω

!

xdx

⇒ ln

ψ

0

= − m

ω

2 h x 2 +

A

0

ψ

0

( x

) =

A

0 e

− m ω

2 !

x

2 and E

0

=

1

!

ω

2

E

0

comes from plugging

ψ

0 below. into H

ψ

= E

ψ

. We will perform the normalization

Now that we are firmly planted on the bottom rung of the ladder, we can utilize a

+ repeatedly to obtain other wavefunctions, ψ n

, and energies, E n

. That is,

ψ

n

( x

) =

A n

( a

+

) n e

− m

2

ω

!

x 2

,

Thus, for ψ

1 we obtain with E

= n

⎝⎜

⎛ n

+

1

2

⎠⎟

!

ω

ψ

1

( x

) =

A

1

π !

⎠⎟ m

ω

2 !

x

2

!

⎠⎟ where you still have to determine the normalization constant A

1

.

5.61 Fall 2007 12-15 Lecture Supplement Page

4

Algebraic Normalization of the Wavefunctions: We can perform the normalization algebraically. We know that a

+

ψ n

= c n

ψ n

+

1 a

ψ n

= d n

ψ n

1

What are the proportionality factors c n

−∞

and d n

? For any functions f ( x )

and g ( x ) f

( a

±

) gdx

=

−∞

( a

∓ f )

∗ g dx here a

is the Hermitian conjugate of a

±

Proof:

−∞ f

( a

± g ) dx

=

1

(2 !

m

ω

)

1 2

−∞ f

⎝⎜

∓!

d dx

+ m

ω x

⎠⎟

⎞ g dx recall that a

±

=

1

(2 !

m

ω

) 1 2

[

∓ ip + mwx

]

=

1

(2 !

m

ω

) 1 2

⎢⎣ ∓ i

⎛ !

⎝⎜ d i dx

⎠⎟

+ mwx

=

1

(2 !

m

ω

) 1 2

⎣⎢

∓!

d dx

+ mwx

⎦⎥

Integrate by parts

∫ f

( a

± g ) dx

=

1

(2 !

mw ) dx

= ∫

− ∞

⎝⎜

± !

d dx

+ mwx

⎠⎟ f

⎦⎥

∗ gdx

= ∫

− ∞

( a

∓ f )

∗ g dx

So we can write

∫ ∞

−∞

( a

±

ψ n

) * ( a

±

ψ n

) dx

= ∫ ∞

−∞

( a

∓ a

±

ψ n

) *

ψ n dx

We now use

!

ω

⎝⎜

⎛ a

± a

±

1

2

⎠⎟

ψ n

⎝⎜

⎛ a

+ a

= E n

ψ n

± and

E n

=

⎝⎜

⎛ n +

1

2

⎠⎟

!

w

1

2

⎠⎟

ψ n

=

⎝⎜ n

+

1

2

⎠⎟

ψ n and therefore a

+ a

ψ n

= n

ψ n

And

!

ω

⎝⎜

⎛ a

− a

+

1

2

⎠⎟

ψ n

= !

ω

⎝⎜

⎛ n +

1

2

⎠⎟

ψ n

5.61 Fall 2007 12-15 Lecture Supplement Page

5 a

− a

+

ψ n

= ( n

+

1

) ψ n

We can now calculate c n

:

∫ ∞

−∞

( a

+

ψ n

) * ( a

+

ψ n

) dx

= c n

2

∫ ∞

−∞

ψ * n

+

1

ψ n

+

1 dx

= ∫ ∞

−∞

( a

− a

+

ψ

n

)

*

ψ n dx

=

( n

+

1)

∫ ∞

−∞

ψ * n

ψ n dx c n

= n

+

1

The calculation for

∫ ∞

−∞

( d n proceeds in a similar manner : a

ψ n

) * ( a

ψ n

) dx = d n

2

∫ ∞

−∞

ψ * n

1

ψ n

1 dx = ∫ ∞

−∞

( a

+ a

ψ n

) * ψ n dx = n

∫ ∞

−∞

ψ * n

ψ n dx d n

= n

Thus we obtain the two normalization constants for the a

± a

+

ψ n

= ( n

+

1

) 1 2 ψ n + 1 a

ψ n

= n 1 2 ψ n − 1

HO Wavefunctions: Rearranging the equations to a slightly more useful form yields

ψ n + 1

=

1

( n

+

1

)

1 2 a

+

ψ n

ψ n − 1

=

1 n 1 2 a

ψ n

We can now use these equations to generate other wavefunctions. Thus, if we start with ψ

0

we obtain: n = 0 n

=

1 n

=

2 n

=

3

ψ

1

=

(

1

0

+

1

)

1 2 a

+

ψ

0

= a

+

ψ

0

ψ

2

ψ

3

=

ψ

4

=

=

1 a

+

ψ

1

=

2

2

1

+ 1 a

+

ψ

2

=

1

2

( a

+

)

2 ψ

0

3

1

⋅ 2 a 3

+

ψ

0

1

3

+

1 a

+

ψ

3

=

1

4

3

2 a

+

4 ψ

0

So that

ψ

n is

ψ n

=

1 n !

( a

+

) n ψ

0

5.61 Fall 2007 12-15 Lecture Supplement Page

6

Orthogonality of the HO Wavefunctions: Recall the orthogonality condition for two wave functions is

−∞

ψ

* n

ψ

m dx

=

δ

nm

Using the a

± operators we can show this condition also holds for the HO wavefunctions. The proof is as follows.

ψ m

*

( a

+ a

)

ψ n dx

= n

ψ m

* ψ n dx

∫ ( a

ψ m

) ∗ ( a

ψ m

) dx = ∫ ( a

+ a

ψ m

) ∗ ψ n dx = m

∫ ψ m

* ψ n dx

( n

m

)

ψ

* m

ψ

n dx

=

0

The trivial case occurs when n

= m

; but when n

≠ m

then

ψ m

* ψ n dx

=

0

Potential Energy of the Harmonic Oscillator: We can now use the a

± operators to perform some illustrative calculations. Consider the potential energy associated with the HO. and therefore

V

=

1

2 kx

2 =

1

2 m

ω 2 x

2

V

=

1

2 m

ω 2 x 2 =

1

2 m

ω 2

ψ n

* x ˆ 2 ψ n dx

First, we express x

ˆ

and p in terms of a

± operators … x ˆ =

⎝⎜

⎛ !

2 m

ω ⎠⎟

1 2

( a

+

+ a

) p ˆ = i

⎝⎜

⎛ !

m

2

ω

⎠⎟

1 2

( a

+

− a

) and x 2 =

⎛ !

⎝⎜

2 m

ω ⎠⎟

( a

+

+ a

)

2 =

⎝⎜

2

!

m

ω ⎠⎟

⎞ ( a

+ a

+

+ a

+ a

+ a

− a

+

+ a

− a

)

5.61 Fall 2007 12-15 Lecture Supplement Page

7

Dirac Notation: Before we evaluate this expression let’s introduce some new notation that will make life simpler for us on future occasions. Instead of writing the integral between

± ∞

we use brackets to denote this integral. The first half is called a “bra” and the second a “ket”. That is, “bra”-c-“ket” notation is bra = and ket = and for the probability density we would have an expression such as where the present of

∫ ∞

−∞

ψ * m

ψ n dx

= m n

ψ

* m

is understood. Using this notation, integrals for x , p , and x 2 assume the form

∫ ∞

−∞

ψ * m x ˆ ψ n dx

= m x ˆ n

and ∫ ∞

−∞

ψ * m p

ψ n dx

= m ˆ n

V

=

1

2 m

ω 2 x

2 =

1 m

ω

2

2

ψ n

* x ˆ 2 ψ n dx

=

1 m

ω

2

2 n x ˆ 2 n yielding

V

=

⎛ !

⎞ 1

⎝⎜

2 m

ω ⎠⎟

2 m

ω 2 ⎡⎣ n a

+ a

+ n

+ n a

+ a

− n

+ n a

− a

+ n

+ n a

− a

− n

⎤⎦

V

= h

ω

4

⎡⎣ n

+ n

+

1 ⎤⎦ =

!

ω

2

⎝⎜ n

+

1

2

⎠⎟

It is important to not get totally embroiled in the equations and neglect the chemistry and physics. Accordingly, we should ask the question as to the physical significance of this formula ?

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