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Chapter 10
Part 2
November 4, 2002
Artificial Elements?
?
Galton board
Probability Distribution
http://probability.ca/jeff/java/utday/
Probability is P(x)
- unitless
- proportional to ∆x
- equal to unity when integrated over
the whole range or space. ∞
∫ P(x)dx = 1
−∞ x
∆x
Probability density is
- a continuous function of x
Neither probability nor
- has units of per unit distance (for 1D
probability density is
distribution), per unit area (for 2D distribution)
negative.
or per unit volume (for 3D distribution )
1-D Standing Wave
Tie the ends down
two nodes
+
yo Not allowed
-
one node
+
yo
-
no node Traveling wave
+
yo
-
n quantum No.
n – 1 nodes
x
0 0 x
p322
ψ2 are the probability densities for
Solutions of Schrödinger Eq finding the particle, not probabilities!
1-D Schrödinger Equation
h 2 d 2ψ
− 2 2
+ V(x)ψ = Eψ p323
8π m dx
Total Energy E = V + Ek, m particle mass Potential Energy V(x) = 0,
h 2 d 2ψ
− 2 2
= Eψ
8π m dx
Verify the solutions
h2 d2ψ h 2 nπ 2 d nπ x
Left side − 2 =− 2
2 nπx 8π m dx 2
cos
ψ n ( x) = sin 8π m L L dx L
L L h 2 nπ nπ 2 nπ x
= 2 sin
8π m L L L L
n = 1, 2, 3 … h2 n2 2 n πx
= sin
8m L2 L L
n2h2
with En = = Enψ n right side
8mL2
Energy levels for a particle in a box
Ψ
Wave Function nlm = R nl
( r )Ylm (θ , φ ) Ψ 2
3-D Prob. Density nlm = R 2
( r )Ylm (θ , φ )
2
nl
R
Radial wave function
0
R2r2
1D Prob. density
Potential Energy
Potential Energy, V
Kinetic Energy, Ek
E = Ek + V
high V
Gravitational Potential
low V
V linear with respect to height
Columbic Potential V
V=0 r→∞
e- r
r Z2
En = − RH 2
n
+Z Potential Energy
Ze 2
V (r ) = −
r
p323
r V
Columbic Attraction
Total orbital En = Ek + V = 1 V
energy 2
Ze2 dV ( r )
Force F= 2 =
r dr Z2
En = − RH 2
e - electron charge n RH Ryberg const
Screening (or Shielding) in Multi-electron Atoms
Screening reduces the apparent nuclear charge.
e-
+Z +Z
e-
Z eff (r )e 2
V (r ) = −
r
Orbital Energy
n En
Z eff2
En = − RH 2 Zeff En
n Eq. 10.4
RH Ryberg Const
n 2 a0 1 l (l + 1)
rnl =< r >= 1 + 1 − 2 a0 Bohr radius
Z eff 2 n
Eq. 10.5
n <r>
Zeff <r>
An example
n2
r ∝ Mg2+ is 66 pm
Z eff
Same n Na+ is 95 pm
But different Z F- is 133 pm
Z eff Mg2+ > Z effNa+ > Z effF-
e-
Another Example of n 2 • H- (1s2)
Screening and Atomic Radii r ∝
Z eff
• Z=1
• e-
H •
Zeff = 1- 0.3 = 0.7
• Z=1
•
e-
Z=2
He(1s2) •
• e-
Zeff~2-0=2
e-
Z=2 •
•
•
e -
R2r2
Z eff ( r )e 2
Potential energy V (r) = −
r 2 2
Total energy 1 1 Z eff ( r )e Z eff
E = V (r) = − = − RH 2
2 2 r n
Zeff2s > Zeff2p E2s < E2p
Compare E3s, E3p, E3d
R2r2
K Mn Mn2+
4f105d16s2
Z eff
2 2
Z eff 2
Z eff
I = ∆E = E f − Ei = RH 2 − 2 = RH 2
n ∞ n
Z eff2
I = En = RH
n2
Z eff2
I = RH 2 Increasing across period
n
n=2 Noble gases high I.E.
Zeff
n=3