NET Quantum Mechanics Study Material

1
PHYSICAL ACCEPTANCE WAVE FUNCTION

1.
x e x
At x x 0 at x x not finite.
x e x is single valued.
Both x and x are continuous
2.
e2 x dx not square integral.
x 5x
Is not infinite at x
Not single valued, double valued
x is not continuous but ' x is not
3.
5 xdx not square integral.
x 4 x
Is not finite at x
Is single valued
x is continuous but ' x is not.
4.
x A tan x
At x
3 5
,
,
.......
2 2 2
At x
3 5
,
,
has discontinuity..
2 2 2
b
x A exp 2 , at x 0
x
6.
2
2
2
2
x Axe x ' x A e x 2 x 2e 2 x Ae x 1 2 x 2
5.
1
2
1 x 2 e x
1
2
For high values of x; slope of 2 is much larger than slopes of 1 .
A2 e 2 x x 2 dx finite acceptable solution.
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2
Problem:
x0
(a)
x (c)
x0 x (b)
x0
(d)
x0
x
(x) is not continuous
Correct answer is (a)
1 x /a
e
a
(i) Find the probability of finding the particle between a x a
(ii) Find the value of b so that probability of finding a particle between b x b is 0.5.
Problem: The wavefunction of a particle x
Soln. (i) Probability =
dx /
all space
dx dx /
a
all space
dx
1 2 x / a
1 2 x / a
e
dx /
e
dx
a
a
a 1
0
1 2 x/ a
1
1 2 x / a a
e
e dx e 2 x / a dx = e 2 x / a
a
0
0
a
a
2
2
1
1 2
1
1 e2
e 1 1 2 e 2 1 / e 2
2
2
e
1 1
1
1
1 1
1
2x/a 0
2 x / a
1 2 x / a
2 x / a
1
e
e
e
dx
e
dx
= a 2/a
a 2 / a
0
a
0 a
2 2
a
DIRACS BRA-KET ALZEBRA
Space vector in independent of representation of position but components depend on the representation of
the position but the components depend on representation of the position i.e.
r xi yj zk a r a a a a a z
r
Schrodinger picture: state is represented by a scalar r , t

Dirac representation: state is represented by a scalar vector.
Unti vector are basis vectors.
Basis vectors following the orthonormality conditions i.e.
i.i j. j k.k 0 and i. j j.k k.i 0
ket vector and its hermitian conjugate.

Bra vector
a* , |
; a a 1 a a*
3
Normalization conditions: | 1
Orthogonality conditions: 1 | 2 0
Orthonormality conditions: m | n mn
Cm m C1 1 C2 2 ......
m
1 C11 C22 C1 1 | 1 C2 2 | 2
C1*1 C2*2 1 C1* 1 | 1 C2 2 | 2
C1 1 C2 2 | C1* 1 | C2* 2 |
C11 C22 | m1 1 m2 2 C1*m1 1 | 1 C1*m2 1 | 2
C2*m1 2 | 1 C2*m2 2 | 2
Properties of the commutator:
1. A , B B , A Anti-symmetric
2. A , B C D .... A , B A , C ........
3. A , B B , A
A , B C B A , C
4. A , BC

B , C , A C , A , B 0
5. A , BC

6. Tr A , B 0

f A , G A 0
f A , G B 0 only if A , B 0
7. A , f A 0
8.
9.
n
1
10. A , B nB A , B
n
n 1
11. A , B nA A , B
12. xi , x j 0, xi , p j i ij , pi , p j 0
x, p x
xpx px x x i
x, px i
i x
x
x
x, px i
BA
BA
AB
BA
BA
AB
AB

= AB
BA

, BA
AB
Problem: A , B , B , A AB
ABAB
BABA
BABA
0
BAAB
BAAB
ABAB
ABBA
= ABBA
Problems: x 2 , p 2 x 2 , p p p x 2 , p 2 xi. p p.2 xi 2i xp px
A B A , B 1 A , A , B 1 A , A , A , B ......
Problem: Show that, e A Be
2!
3!

A
f e A Be
f 0 B
A Be
A
f ' e A B A e A Ae
BA
A , B
f ' 0 AB
A e A AB
A e A e A AB
A e A e A B A A e A
f " e A AABe
BA
BA
AB
A = A A , B A , B A A , A , B
f " 0 A AB
A B A , B A , A , B .......
e Be
2!
A e B
If A , B B , show that e A Be
A B B 1 A , B ......
e A Be
2!
2
B B
B ...... e B
2!
A A Dirac Notation
Schrodinger notation: * A d * A * d
* A d
A d
5
OPERATOR FORMULAISM
Linear operator: A C1 1 C2 2 C1 A 1 C2 A 2
Hermitian operator: A A
Schrodinger representation: , A A ,
* A d A d
eigenvalues are real always for a hermitian operator.

All physical observable are represented by hermitian operators
, p x * i
:
px
i *
*
dx i
x
x
dx
*
d
i
dx
dx
*
d
i
dx p *x * dx
dx
i x i x

x
x
Projection operator: A A and A 2 A

A A 2 2
2
2 0
0, 1
(1) Product of two projection operators is also a projection operator.

p 12 p1 and p 22 p 2
if p1 and p2 both commute.
p1 p 2
p 2 p 2 p 1 p 1 p 2
p1 p 2
p 1 p 2 p 1 p 2 p 1 p 2 p 2 p 1 p1 p 2 p 1 p 1 p 2
(2) Sum of two projection operator is a projection operator if they anticommute with each other/they are
orthogonal to each other.
p1 p 2
p 1 p 2 p1 p 2
p1 p 2
p 11 p 22 p 1 p 2 p 2 p1
p1 p 2 if p1 p 2 p 2 p1 / p1 p 2 p 2 p1 0
Check whether is projection operator or not.
Unitary Operator: A A 1
Parity Opertor: Parity means space reflection about the origion
P x x
P ' r r
r xi yj zk
r xi yj zk
For cartesian: x x, y y , z z
Spherical:
r r, ,
Cyllinderical:
s s, , z z
P x x
P 2 x 2 x
x 2 x
P x x x even parity
P x x x odd parity
P 2 x x P 2 T involutory
P is hermitian in nature
Parity operator commutes with hamilonian if V is symmetric.
2
2
PH
p V x x p V x x
H , P HP
2m
2m
If V x V x H , p 0
bb 1 and b2 b
Let, N bb where the operator b satisfies the relation bb
0 ; eigenvalues
of N are
(a) +ve and ve integers
(b) all +ve integers
(c) 1 and 0 only
(d) 0 and 1 only
bb
b 2
bbb
b 1 bb b 2
2
bb bb bb
bb
bb 2
2 0, 1
7
EXPECTATION VALUE
Expectation value of dynamic variables: It is defined as the average of the result of a large number
of independent measurements on the same system

A
dx /
A
*
all space
dx
all space
Problem: A particle of mass m is confined in a 1-D box from x 2 L to x 2 L . The wave function of
x
the particle in this state is x 0 cos
4L
(i) Find the normalization factor
(ii) The expectation value of p2 in this state.
Soln.
2L
dx 1
2L
1
2 x
2
x
2 L cos 4 L dx 1 0 2 L 2 1 cos 4L dx
2 L
0
2 x 4 L
x sin
1
2
4 L 2 2 L
0
1
2 L 2 L 1 0
2
2L
2
2
2L
d2
2L

P 2 * 2 2 dx = cos 2 x
dx
2 L
dx
2 L 2 L
4 L 4 L
2 2 1 2 L
x
2 2
.
1
cos
dx
2 L 16 L2 2 2 L
2L
32 L3
2 2
3L3
2L
1 cos
dx
2L
2L
2 2
sin 2 L
x
2 L 0
16 L2
Problem: Find the expected value of position and momentum of a particle whose wave function is
x e x
Soln.
2 / a 2 ikx
in all space
x dx
dx
e 2 x
e x
2 / a2
e 2 x
.xdx
2 / a2
0
dx
2 2
x2 / a 2 ikx
2x
dx
e 2 x / a 2 ik dx
i e
2
2
2
2
2 x / a
e2 x / a dx
dx
e
2 / a 2 ikx
i.ik
e 2 x
2 / a2
e 2 x
2 / a2
dx
dx
Root mean square deviation/Uncertainity deviation:
x2 x
or uncertainity product.
Variance = x 2 x
p
p2 p
x A x x0
x 0, p
p A p p0 p 0, x
SCHRODINGER EQUATION
Schrodinger equation:
px2
V x
Total energy of a system = K. E. + P. E. =
2m
H E
2 2
V E
2m x 2
2 2
In 3-D
V E
2m
A particle moving along x axis in potential field V which is independent of time.
So,
2 2
V i
TDSE
2
2m x
t
Let, x, t X x T t
2 2 X
T
T 2 VXT iX
2m x
t
2 1
2 X
i
T
TIP 2 V TDP
E constant
m X
x
T
t
Time dependent part:
i
1 T
E
T t
T E
i
t Edt
T
i
i
ln T ET ln c
Time independent part:
T c.e iEt /
2 1 2 X
2 d 2 X
VX EX
2m X x 2
2m dx 2
2 X 2m
2 E V X 0
x
x, t X x T t X x e iEt / X x e it
Solution of time depndent Schrodinger equation corresponding to energy E.
If 1 x, t , 2 x, t ...... n x, t are solutions of TDSE corresponding to energies E1 , E2 , E3 ,.....En ,
then the general solution is
x, t Cnun x e iEnt / C1u1 x e iE1t / C2u2 e iE2t / C3u3e iE3t / .......

n
1 x, t 2 x, t ........
In 3-D
2 2
V F E i
2m
t
For a free particle, V r 0
2 2
i
2m
t
Let r , t R r T t
TDP: T t C e iEt /
2
TIP: R
2m
E V r R 0
r , t R r T t CR t e iEt /
If V V r Schrodinger equation is the time independent
Only in time dependent perturbation theory. If V V r Schrodinger equation is the time dependent.
H E , E should be independent of that variable
Problem: The wave function of a spinless particle of mass m is 1-D potential is x A exp 2 x 2 ,
corresponding to eigenvalue E0
(a) 2 E0 1 2 x 2
Soln.
H E

(b) 2 E0 1 2 x 2
2
A exp 2 x 2 4 4 x 2 A exp 2 x 2 V x + A exp 2 x 2 2 2 E. A exp 2 x 2
2m
A exp 2 x 2 2 2 x
x
2
4 x 2 2 2 V x E
2m
V x
2
A exp 2 x 2 4 4 x 2 A exp 2 x 2 2 2
2
x
(d) 2 E0 2 x 2 1 2 2 x 2
(c) 2E0 2 x 2
2 2
V x E
2m x 2
x A exp 2 x 2
2 2
. The potential V x is
m
2
2 2 2 2
4 2 x 2
2m
m
m
V x 2 E0 2 x 2
10
Problem: The wave function of a particle moving in a 1-D potential V x is x exp iax b . The
potential V x will be the form:
(a) V x x 2
Soln.
(b) V x x
(d) V x e ax
(c) V x 0
2 2
2 2
V E
V x E
2 m x 2
2m
V x 0
Problem: The ground state (a part from normalization) of a particle moving in a 1-D potential given by,
x2
x exp cosh
2
(a)
Soln.
x2
2
(b)
2 x . The potential V x is (taking m = 1, 1 )

x2
2 tanh
2
2 x (c)
x2
2 tan
2
x2
exp cosh
2
2 2
V E
2m x 2
x2
' exp x cosh
2
x2 2
" exp x cosh
2
2x
2x
(d)
x2
coth
2
2x
x2
2 x exp 2 sinh 2 x
2
x2
x2
2 x exp cosh 2 x 2 x exp sinh
2
2
2x
x2
x2
exp x 2 sinh 2 x exp 2cosh 2 x
2
2
2 2

x cosh
2m
2 cosh
2 x V cosh 2 x E cosh
2 x cosh 2 x 2 x sinh 2 x x 2 sinh 2 x
2 2
x 1 2 2 tanh
2m
2 2
x 2 2 tanh
2m
V x
2 2
x 2 2 tanh
2m
V x
x2
2 tanh
2
2 x 2 V E
V x
2x
2x
2x
2x
11
Superposition of States: If 1 , 2 , 3 ...... n are orthonormal state vectors/wave functions and

are representing state of quantum mechanics system. then any linear combination will also represent state
of a quantum mechanics system.
If 1 , 2 , .......n are solutions of Schrodinger equation, then linear combination/superposition of the
states, will also be a solution.
In Dirac notation,
Cn n
n
*
Hermitian conjugate of : Cm m
m
m | C1 m | 1 C2 m | 2 ..... Cm m | m .... Cn m | n
Cm m |
Cm* Cn m | n 1
If | 1
m | n mn
C
m
*
m
Cn mn 1
2
n
C12 C22 C32 ..... Cn2 1
Probability of finding a particle in 1 state c1
Time evolution of a state:
x, t x, t0 e iEt '/
t ' t t0
Consider a system whose initial state at t = 0 is given in terms of 3 orthonormal state vectors 1 , 2 , 3
as
x, 0
1
1
1 A 2
3
2
5
(A is a real constant)
(i) Find the value of A so that x, 0 is normalized.

(ii) What are probabilities regarding the system to be in 1 , 2 , 3 states.
(iii) Find the state of the system at any time t.
Soln. (i)
| 1
x, 0
2
2
n
1
1
1 1 3
3
A2 1 A2
A
2
5
2 5 10
10
1
3
1
1
1
3
10
2
5
P 1 C1
1
,
2
P 2 C2
3
1
2
, P 3 C3
10
5
1 iE1t /
3 iE2t /
1 iE3t /
e
1
e
2
e
10
2
5
If a wavefunction is normalized at a particular time, it will remain normalized after some time.
x, t
12
2
Normalized wavefunction: P n n |
Non-normalized wavefunction: P n n |
/ |
1
0 i 1 where 0 and 1 are the
2
normalized eigenstates with energies E0 and E1 respectively. The hamiltonian in the state is
Problem: The wavefunction of a particle is given by n
(a)
Soln.
E0
E1
2
(b)
C
0 1
2
E0
E1
2
| 1
1
2
0 2
2
3
3
P 0 0 |
P 1 1 |
1
3
2
3
(c)
E0 2 E1
3
C3
C2 1
2
(d)
E0 2 E1
3
2
3
E Pr Er = P 0 .E0 P 1 E E0 2 E1 / 3
Bound state:
If the motion of a particle is confined to a limited region of space, by potential energy so that the particle can
more back and forth in the region, then the particle is in a bound state.
(i) Motion of a particle in 1-D/2-D/3-D box
(ii) Motion of a particle in harmonic oscillator
(iii) Motion of a particle in 1-D/3-D potential well.
Particle in a one-dimensional box: (Unsymmetric infinite potential well) (square well potential of infinite
width)
A particle of mass m and energy E is moving in the region from x = 0 to x = a under the potential.
V
V x 0
V 0
0 xa
otherwise
i.e. the particle experiences no force within the potential well and is potential is infinite outside, the particle
cannot penetrate outside of the region 0 x a i.e. 0 for outside the box.
V x is independent of time. We use TIDSE
2 d 2
V E
2m dx 2
So,
2 d 2
E
2m dx 2
d 2
k 2 x 0 x A sin kx B cos kx
dx 2
d 2 2mE
2 0
dx 2
0 xa
13
(i) Applying x x 0 0 at x 0 B 0
ka n
A sin ka 0
(ii) x x 0 0
n
a
n x
x A sin
n 1, 2, 3
If n 0 0 E 0 x 0 everywhere inside the box.

Not admissible particle with zero energy cannot present in the box.
n x A sin
0 x a
n 2 2 2mE
2 2
a
2mE
k
2
n x
a
n 2 2 2
En
2ma 2
n 1, 2,3,.....
We get an infinite sequence of descrete energy levels
2 2
2ma 2
n 1
E1
n2
42 2
E2
2ma 2
Ground state energy
E3
E2
E1
First excited state energy.
En n 2 E1
2 2
2
n 1 n 2
2
2ma
Difference between two energy levels En1 En
2 2
E
2n 1
2ma 2
Spacing between two energy levels increases with n
Spacing between two energy levels decreases with a
As a E 0 continuous energy states.
Normalization:
n x A sin
n x
a
0 xa
0
a
2
sin 2
n x
dx 1
a
2 1 cos
0
2
a
otherwise
nx
dx 1
a
2
n x
sin
a
a
n x
2
n x
sin
a
a
14
1 x
(1) n 1
2
x
sin
a
a
(2) n 2
2 x
2
2 x
sin
a
a
Three nodes at x a,
Two nodes at x = 0, x = a
1(x)
a
,a
2
11(x)
a/2 3a/4
x=0
x=a/2
3 x
(3) n 3
x=0
x=a
a/4
x=a
2
3 x
sin
a
a
a 2a
Four nodes at x 0, ,
,a
3 3
a/6
5a/6
Similarly, n(x) has (n+1) modes

n(x) has (n + 1)2 = (n1) nodes
a/2
x=0
x=a
a/3
2a/3
Orthogonality of wavefunctions:
a
*
m ndx
0
2
m x
n x
sin
sin
dx 0
a0
a
a
*
m
n dx mn orthonormality condition
Wavelength associated with the particle,
En
pn2
2m
Pn2 2mE 2m
2 2
2a
a
as n , , E
k
n
n
n 2 2 2 n 2 2 2
2ma 2
a2
n
a
I sign is due to the back and forth motion of the particle.
Pn
n 1 n n
Pn Pn 1 Pn
a
a
a
Difference of momentum between two consecutive levels are constant unlike the case of E .
Probability of finding the particle between x and x dx is given by, P x dx n x dx
2 2 n x
sin
dx
a
a
Probability is maximum

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1

PHYSICAL ACCEPTANCE WAVE FUNCTION

e2 x dx not square integral.

5 xdx not square integral.

For high values of x; slope of 2 is much larger than slopes of 1 .

A2 e 2 x x 2 dx finite acceptable solution.

(x) is not continuous

Correct answer is (a)

Soln. (i) Probability =

DIRACS BRA-KET ALZEBRA

Schrodinger picture: state is represented by a scalar r , t

ket vector and its hermitian conjugate.

Properties of the commutator:

eigenvalues are real always for a hermitian operator.

Projection operator: A A and A 2 A

(1) Product of two projection operators is also a projection operator.

if p1 and p2 both commute.

Check whether is projection operator or not.

Root mean square deviation/Uncertainity deviation:

A particle moving along x axis in potential field V which is independent of time.

Time independent part:

x, t Cnun x e iEnt / C1u1 x e iE1t / C2u2 e iE2t / C3u3e iE3t / .......

For a free particle, V r 0

If V V r Schrodinger equation is the time independent

2 x . The potential V x is (taking m = 1, 1 )

2 x cosh 2 x 2 x sinh 2 x x 2 sinh 2 x

Superposition of States: If 1 , 2 , 3 ...... n are orthonormal state vectors/wave functions and

C12 C22 C32 ..... Cn2 1

Probability of finding a particle in 1 state c1

Time evolution of a state:

(i) Find the value of A so that x, 0 is normalized.

V x is independent of time. We use TIDSE

If n 0 0 E 0 x 0 everywhere inside the box.

We get an infinite sequence of descrete energy levels

Ground state energy

First excited state energy.

Difference between two energy levels En1 En

Similarly, n(x) has (n+1) modes

Wavelength associated with the particle,

Probability of finding the particle between x and x dx is given by, P x dx n x dx

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