051 - pr 05 - charge density of hydrogen atom from time averaged potential
TRANSCRIPT
04 EM – 051 – pr 05: The time-averaged potential of a neutral hydrogen atom is given by:
( )12
0
exp( )( ) 1
4
q rr r
r
αα
πε
−Φ = + [I.1]
…where “q” is the magnitude of the electronic charge, and 1 1 1
02 2 [ ]a Bohr radiusα − = = .
Find the distribution of charge (both continuous and discrete) that will given this potential. Interpret your result
physically.
Gauss’s law in integral form and divergence theorem results in differential Gauss-law:
0/ρ ε∇• =E� �
[I.2]
That the electric field is conservative/irrotational implies = −∇ΦE��
, and this makes [I.2] into:
2 2 2
0 0 , ,
0
( ) r θ φ
ρρ ε ε
ε∇ • = −∇ • ∇Φ = −∇ Φ = → = − ∇ Φ = − ∇ ΦE� � � � � ��
[I.3]
Looking at the time-averaged potential [I.1], we see it is a function only of “r”, so angular derivatives of the full Laplacian
(as in [I.3]) vanish. Thus, we only need the radial component of Laplacian:
2 2
2
1r
rr r r
∂ ∂Φ ∇ Φ =
∂ ∂
�
[I.4]
Rearrange the given potential [I.1] so that the trivial 04
q
πε is away from the functions of “r”,
( ) ( )0 1 1 1 12 2
4( ) 1 ( ) ( )
r r
r rr e r e f r g r
q
α απεα α− −Φ = + = + = ⋅ [I.5]
Thus, we are to apply 2
r∇�
of [I.4] to the product of functions ; what results are binomial coefficients in ∇�
,
( ) ( ) ( )2 2 2 2 2( ) 2f g f g f g f g f g f g f g g f f g f g f g∇ ⋅ = ∇ • ∇ ⋅ = ∇ • ∇ ⋅ + ⋅∇ = ∇ ⋅ + ⋅∇ + ∇ • ∇ + ∇ • = ∇ ⋅ + ⋅∇ + ∇ • ∇
� � � � � � � � � � � � � � �
[I.6]
Calculating f∇�
, g∇�
, 2
f∇�
, and 2g∇�
in which, by [I.5], 1 12r
f α= + and rg e α−= , and using [I.4] to handle “g” and
2 31 4 ( )r rπ δ∇ ≡ − ⋅ to handle “f”,
( )2
1 1 1ˆ ˆ ˆ ˆ
2
r rf g e er r r r
α αα α− −∂ − ∂ ∇ = + = ∇ = = −
∂ ∂ r r r r
� �
[I.7]
2 2 31 1
4 ( ) 4 ( )2
f rr
α π δ π δ
′∇ = ∇ + = − ⋅ − = − ⋅
x x� �
[I.8]
( ) ( ) ( )2 2 2 2 2 22 2 2
12r r r r r
rg r e r e re r e er r r r r r
α α α α ααα αα α− − − − −∂ ∂ − ∂ −
∇ = = = − = − ∂ ∂ ∂
�
[I.9]
Putting [I.7], [I.8], and [I.9] together a la [I.6] to constitute the Laplacian of the product [I.5],
( ) ( ) ( ) ( )
( ) ( )
2
2
2 2
2 2 30 21 1 12
2 3 3 3 31 1 12 2
4ˆ ˆ( ) 4 ( ) 2
2 4 ( ) 2 4 ( )
r r r
r r r
r r
r rr r
r e e r eq
r e r e
α α αα
α αα α α
πεα α π δ α
α α π δ α π δ
− − −−
− −
∇ Φ = + − − ⋅ + ⋅ • −
= − + − − ⋅ + = − ⋅
r r [I.10]
The charge density by [I.3] is,
( ) ( )2 3 3 3 31 10 0 2 2
0
4 ( ) 4 ( )4 4
r rq qr e r eα αρ ε ε α π δ α π δ
πε π− −−
= − ∇ Φ = − − ⋅ = − ⋅�
[I.11]
Realizing 0 0
0 0( ) ( )
x xax
x xx e dx x dx
δ δ
δ δδ δ
+ +−
− −⋅ ⋅ = ⋅∫ ∫ , [I.11] simplifies to,
( )3
3 3 312
4 ( ) ( )4 8
r rqe r q r eα αα
ρ α π δ δπ π
− − −= − ⋅ = −
[I.12]
Clearly: 3( )q rδ⋅ is the charge density of the kernel-nucleus, and
3
8
rq e
ααπ
−− is the charge density of the surrounding
electron cloud.
checking our answer: The hydrogen atom is charge neutral, so [I.12] should integrate to zero over all space; using 3 2
4d x r drπ′ = ⋅ ,
( ) ( )3 3 3 3 3 3 3 21 18 2
0 0( ) ( ) ( )r rQ d x q e d x q d x e r drα α
πρ δ α δ α∞ ∞
− −′ ′= ⋅ = − = ⋅ − ⋅∫ ∫ ∫ ∫x x x [I.13]
To integrate 2
0
re r drα∞
− ⋅∫ , our instructor Dr. Chabysheva invites us to remember the definition of the gamma function,
1
0( ) ( 1)!n xn x e dx n
∞− −Γ ≡ ⋅ = −∫ [I.14]
Thus, after effecting 3 3( ) 1d xδ ⋅ =∫ x , [I.13] becomes,
( ) ( ) ( ) ( )3
3 3 11 1 1 12 2 2
0(1) ( ) 1 (3) 1 2! 1 1 0rQ q e r d r q q qα
αα α
∞− −= − ⋅ = − Γ = − = − =∫ [I.15]
Plotting this charge density [I.12] and letting 2200
( )r
r eδ −≈ ,
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.91
0.5
0
0.5
1
exp x−( )−
exp 200− x2
⋅( )
exp 200− x2
⋅( ) exp x−( )−
x
- charge density units: 4*pi*q/epsilon[0]
- length units: Bohr radii, "alpha"
proton alone
proton + electron cloud
electron cloud alone
[I.16]
Alternate solution
The shorter way, which is in our best interest for the exam, would be: first consider applying 2
0ε− ∇ to [I.5] with r > 0,
( )( )( )( )
( ) ( ) ( )( )
( )
2
1 12 2 22 1 1 1
0 0 0 22 2
2 2 2 21 10 02 22 2
2 2 2 31 10 0 0 02 22
( )1 1
1 11 1 1
1 ( )4
r
r rr
r r
r r
r r
er r e e
r r r r r
e r r e r r rr r r
re r e
r q
αα α
α α
α α
αε ε ε α α
ε α α ε α α α α α
ρε αε α α ε πε
−− − −
− −
− −
∂ +∂ ∂− ∇ Φ = − = − − + +
∂ ∂ ∂
∂= + + = − + + + +
∂
− ∇ Φ = − = − =
[I.17]
Solving for ( )rρ in [I.17], we get,
31
8( )r
r q eα
πρ α −= − [I.18]
So, blind application of the operator 2
0ε− ∇ yields the second term in [I.12] (in units where0
14
1πε = ). Now, consider the
limit 0r → , where we may let 1x
e x≈ + . This results in,
2 2 2 2 2 20 1 1 1 1 1 1 1 1
0 0 0 02 2 2 2 2
4(1 )( ) ( ) ( )
r r rr r r
q
πεε ε α α ε α α α ε α α
Φ− ∇ = − ∇ − + = − ∇ + − − = − ∇ − − [I.19]
In [I.19], for 0r → , we have 1r
r>> , so we may discard that term too. From there, we effect the same rigamarole at the
beginning of [I.17], then, except we bear in mind the formula 2 1( ) 4 ( )r rπ δ∇ ≡ − ⋅ , and [I.19] becomes,
( )2 2 2 2010 0 0 0 022 2
1( 0 1) 4 ( ) 0 4 ( )
2r r r r r
r r r r r
α αεε ε ε α πε δ πε δ
∂ ∂ ∂ − ∇ Φ = − ∇ + ⋅ − = ⋅ + ⋅ = ⋅
∂ ∂ ∂ [I.20]
Bam: [I.18] and [I.20] constitute both charge densities!