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Lecture - 07
Lecture - 07
Pilani Campus
n = 1, 2, 3, ......
l = 0,1……(n-1)
n could be
l
Rn,l (r ) N n,l polynomial n,l ( ) e 2 n
determined
n
3/2
R2, 0 (r ) 1 Z 1 /4
1/2
2 e
2 2 a0 2
n =2 No. of radial nodes (n-l-1) = 1
l =0
3/2
Z
R2,1 (r ) 1 e /4
1/2 a0
4 6
n =2
No. of radial nodes (n-l-1) = 0
l =1
6 BITSPilani, Pilani Campus
Topics Covered in Lecture – 06: Hydrogenic
Radial Wavefunctions
3/2
1 Z 1 2 /6
R3, 0 (r ) 1/2
6 2 e
9 3 a0 9
n =3
No. of radial nodes (n-l-1) = 2
l =0
3/2
1 Z 1 /6
R3,1 (r )
1/2 a0
4 e
3
27 6
n =3
l No. of radial nodes (n-l-1) = 1
=1
3/2
Z
R3, 2 (r ) 1 2e /6
1/2 a0
81 30
n =3
No. of radial nodes (n-l-1) = 0
l =2
7 BITSPilani, Pilani Campus
Hydrogen-Like Atom: Wavefunction
im
l
e
n,l ,ml (r , , ) N n,l ,ml . . polynomial n,l ( ). e 2 n . polynomial l ,ml ( ).
n 2
n = 1,2,….; l = 0,1,…….(n-1); ml = -l,…….+l
Number of orbitals
with different ml
l ≤ (n-1)
n= 1 2 3 4
K L M N
l= 0 1 2 3
s p d f
n
How many orbitals for a given n ? n2 12
Hydrogen-Like Atom: Eigen Value:
Energy
The energy levels are
En = e4Z2/32ħn2
n = 1,2,3,….
(Energy depends only on n)
n=2, Z=1
En = - hcRZ2/n2
hcR = e4/32ħ
= mmN/(m+mN)
Constant R is numerically same
as Rydberg contant, RH when
mN is set equal to the mass of proton.
n=1, Z=1
Ground state is stable than infinitely
separated electron and nucleus.
13 BITSPilani, Pilani Campus
Energy levels & Ionization energies
En = hcRZ2/n2
The energies given by the formula are negative, they correspond to a bound
state of the electron.
The zero energy, reference level (n = ∞) for the energy, corresponds to a
situation where the electron is not bound.
The positive energies correspond to unbound states of the electron. The
wavefunction describing such an electron is also solution of the SE, and it is the
wavefunction of a free electron. The energy of the unbound electron are not
quantized and form the continuum states of the atom.
E = hcR/n22 – (- hcR/n21)
= h
-
= R[(1/n12) – (1/n22)]
Radial wavefunction
a
a 0 4
For hydrogen atom, this becomes the three dimensional expression
2 A 2
P
0 0 0
*r 2 dr sin dd
2
d r 2 dr sin dd
2A
1
d. sin d . r e
2 2r / a
3 dr
a 0 0 0
P = 0.981
• For all values of ϕ & , there is a very small volume near the
nucleus and probability of electron existing in such a small volume
should be small.
P(r) = 0 at r = 0
P(r) 0 as r
• The probability starts at zero, increases to a maximum value, then decreases
toward zero as the radius gets larger and larger.
•The most probable radius is the radius at which P(r) is maximum.
At most probable radius, dP(r)/dr = 0
• For a 1s orbital in hydrogen, P(r) is maximum at r = a0 (Bohr radius).
21 BITSPilani, Pilani Campus
2s –radial distribution function Plot
• Spherically symmetric, angular part is just a constant States of zero
orbital angular momentum.
3/2
1 Z 1 /4
R2, 0 (r ) 1/2
2 e
2 2 a0 2
ρ = 2Zr/ao
Ψ1,0,0 = (1/ √π) (Z/a)3/2 e-Zr/a Ψ3,0,0 = 1/(81√(3π)) (Z/a)3/2 (27 - 18(Zr/a) + 2(Zr/a)2) e-Zr/3a
23
23 BITSPilani, Pilani Campus
Radial Distribution Plot (P(r) vs r)
P(r) = Radial
Distribution
Function
Locate the
maxima for
finding the “most
probable radius”
dP(r)/dr = 0
Find rmax.
24
24 BITSPilani, Pilani Campus
Radial distribution function P(r) for orbitals
that are not spherically symmetrical:
• Probability of finding the electron in an
infinitesimal volume element d located at a
distance between r and r+dr from nucleus, with its
angular coordinates having values between and
+d and between and + d is
0 0
Rn,l(r)]2 [Yl,ml(,)]2 r2 dr sin dd
2p 3p 3d