Quantum Formula Sheet
Quantum Formula Sheet
Quantum Formula Sheet
Institute for NET/JRF, GATE, IIT-JAM, JEST, TIFR and GRE in PHYSICAL SCIENCES
7. Perturbation Theory
7.1 Time Independent Perturbation Theory
7.1.1 Non-degenerate Theory
7.1.2 Degenerate Theory
7.2 Time Dependent Perturbation Theory
8. Variational Method
qp q
2
where ∆q is the error in measurement of q and ∆pq is error in measurement of pq and h is
Planck’s constant ( h / 2 ) .
Important uncertainty relations
x Px (x is position and px is momentum in x direction )
2
E t ( E is energy and t is time).
2
L (L is angular momentum, θ is angle measured)
2
beam.
n 2d sin
The Maxima condition is given by h
or n 2d cos where
2 p
N
N dimensional vector space can be represent as a ii 0 where i = 1, 2, 3 … are
i 1
a *
a*
*
Orthogonality relation: If and are two ket and the value of bracket 0
then , is orthogonal.
Orthonormality relation: If and are two ket and the value of bracket 0
2.2 Operators
An operator A is mathematical rule that when applied to a ket transforms it into
A
Parity operator r r
Momentum operator Px i
x
Energy operator H i
t
2 2 2
Laplacian operator 2
x 2 y 2 z 2
Position operator X r x r
Linear operator
For a1 1 a 2 2 if an operator  applied on results in a1 A 1 a2 A 2
contains all the information about the system. The state vector is also referred as wave
function. The wave function must be: Single valued, Continuous, Differentiable, Square
integrable (i.e. wave function have to converse at infinity).
Postulate 2: To every physically measurable quantity called as observable dynamical
variable. For every observable there corresponds a linear Hermitian operator  . The
Eigen vector of  let say n form complete basis. Completeness relation is given
by n n I
n 1
Eigen value: The only possible result of measurement of a physical quantity an is one of
the Eigen values of the corresponding observable.
Postulate 3: (Probabilistic outcome): When the physical quantity A is measured on a
system in the normalized state the probability P(an) of obtaining the Eigen value an of
gn 2
i
a
n
corresponding observable A is P an i 1
where gn is degeneracy of state and
an (an is Eigen value associated with Eigen vector an ), Then the state of the system
Pn
immediately after the measurement is the normalized projection where Pn is
Pn
d
equation: i t H t t , where H(t) is the observable associated with total
dt
energy of system and popularly known as Hamiltonian of system. Some other operator
related to quantum mechanics:
2.4 Commutator
If A and B are two operator then their commutator is defined as A,B AB-BA
Properties of commutators
, , ; , C , , C
†
, C , C B , C ; , † , †
, , C C , C , , 0 (Popularly known as Jacobi identity).
, f 0
degenerate Eigen value, then each Eigen vector of  is also an Eigen vector of B .
We can also construct the common orthonormal basis that will be joint Eigen state of
A and B .
The anti commutator is defined as ,
2 2
where   2  and  B̂ 2 B̂ .
A
A or
* *
Jx
2im x x
which satisfies the continually equation J 0
t
2
Where * in general J v J v where v is velocity of particle?
If Ji, Jr, Jt are incident, reflected and transmitted current density then reflection coefficient
R and transmission coefficient T is given by
Jr J
R and T t
Ji Ji
3.4 The free particle in one dimension
2 d 2
Hψ = Eψ E x
2m dx 2
x A e ikx Ae ikx
2k 2 2 mE
Energy eigen value E where k the eigen values are doubly degenerate
2m 2
3.5 The Step Potential
The potential step is defined as
0 x0
V x
Vo x0
Vo
Case I: E > Vo
1 Aeik1 x Beik1 x x0 o x
2 Aeik 2 x Be ik 2 x x0
Hence, a particle is coming from left so D = 0.
2
J reflected k k
R 1 2
R = reflection coefficient = =
J incident k1 k2
J transmitted 4k1k2
T = transmitted coefficient = = T 2
J incident k1 k2
2mE 2mE Vo
where k1 k2
2 2
Case II: E < Vo
2mE
I Aeik1x Be ik1x x0 k1
2
2mVo E
II ce k 2 x x0 k2
2
Jr Jt
R 1 and T 0
Jt Ji
For case even there is Transmission coefficient is zero there is finite probability to find
the particle in x > 0 .
3.7 Potential Barrier
Potential barrier is shown in figure.
Vo
Energy
o a x
0 x0
Potential barrier is given by V x V0 0 xa
0 xa
Case I: E > Vo
1 x 1 x Aeik1x Beik1x x 0
2mE 2mE Vo
2 x 2 x Ceik2 x Deik2 x 0 x a Where k1 k2
2 2
3 x 3 x Eeik1x x0
1
1
Transmission coefficient T 1 sin 2 1
4 1
1
4 1 E 2mVo
Reflection coefficient R 1 Where , a
2
sin 1 Vo 2
1 1
R
4 1
sin h 2 1 and T 1
4 1
sin h 2 1
2mVo E
Where a ,
2 Vo
For E << Vo
2 a 2 m Vo E
16 E E
T 1 e 2
Vo Vo
2mVo E
Approximate transmission probability T e2 k 2 a where k2
2
3.8 The Infinite Square Well Potential
The infinite square well potential is defined as as shown in the figure
x0
V x 0 0 xa V x
xa
a o
x
Since V(x) is infinite in the region x 0 and x a so the wave function corresponding
to the particle will be zero.
The particle is confined only within region 0 ≤ x ≤ a.
Time independent wave Schrödinger wave equation is given by
2 d 2
E
2m dx 2
A sin kx B cos kx
B = 0 since wave function must be vanished at boundary ie x 0 so A sin kx
Energy eigen value for bound state can be find by ka n where n 1, 2,3...
2 n x
n x sin
a a
Which is energy Eigen value correspondence to nth
n 2 2 2
En where n = 1, 2, 3 .....
2ma 2
othonormality relation is given by
a
m x n x a
sin sin dx mn i.e.
0
L L 2
0 mn
a
m 1
2
If x is position operator Px Px is momentum operator and n x is wave function of
2 n x
particle in n th state in one dimensional potential box then n x sin then
a a
a
x n* x x n x
2
a2 a2
x 2 n* x x 2 n x 2 2
2 2n
Px n* x i n x 0
x
2 n 2 2 2
Px
2
n* x n x
2m x 2 a2
1 1
The uncertainty product is given by xPx n 2 2
12 2n
The wave function and the probability density function of particle of mass m in one
dimensional potential box is given by
n3 E 3 9 E1 2 3x 3
2
3 sin
a a
2 2x 2
n2 E 2 4 E1 2 sin 2
a a
22 2 x
n 1 E1 1 sin 1
2
2m a a
2 d 2 a a
E ; x
2m dx 2 2 2
2mE
A sin kx B cos kx where k
a
at x , x 0
2
ka ka
so A sin B cos 0 (i )
2 2
ka ka
A sin B cos 0 (ii )
2 2
Hence parity ( ) commute with Hamiltonian ( H ) then parity must conserve
So wave function have to be either symmetric or anti symmetric
2 n x
Wave function for even parity is given as cos
a a
For odd parity
Ψ (x) = A sin kx and Bound state energy is given by
ka ka n
sin 0 , 0 k n 2, 4,6,........
2 2 a
2 n x
For odd parity Wave function is given as sin
a a
n 2 2 2
The energy eigen value is given by En n 1,2,3,......
2ma 2
First three wave function is given by 3 x
2 x
1 x cos
a a 9 2 2
a a 2 2 2 ma 2
2 2 x 2 x
2 x sin
a a
a a 4 2 2
2 2
2 3 x 2 ma 2
3 x cos
a a 1 x
2 a 2 2
where is normalization constant.
a
a 2 2 2ma 2
Anti symmetric
a a x
For even parity 2 2
a
I x Aex x
2
a a
II x C cos kx x
2 2
a
III x Aex x
2
wave function must be continuous and differentiable at boundaries so using boundary
a ka
condition at one will get k tan
2 2
a ka
tan where
2 2
For odd parity
a
1 x Aex x
2
a a
2 x D sin kx x
2 2
a
III x Ae x x
2
using boundary condition one can get
2mVo E 2mE
cot where k
2 2
mVo a 2
and n 2 2 which is equation of circle.
2 2
The Bound state energy will be found by solving equation
n tan for even
mVo a
n2 2
2 2
one can solve it by graphical method.
n tan
o 3 2
2 2
mVo a 2
The intersection point of = tan (solid curve) and 2 2 (circle) give
2 2
Eigen value for even state and intersection point at = - cot (dotted curve) and
mVo a 2
2 2 (circle) give Eigen value for odd state.
2 2
The table below shows the number of bound state for various range of V0 a 2 where Voa2
is strength of potential.
Voa 2 Even eigen function Odd eigen function No. of Bound
states
2 2 1 0 1
2m
2 2 2 4 2 2 1 1 2
V0 a
2m 2m
2 2 9 2 2 2 1 3
V0 a 2
2m 2m
9 2 2 16 2 2 2 2 4
V0 a 2
2m 2m
2 x
1 x
3 x
a
2
a a x a x x
2 2 2
1
V x m 2 x 2 x 3
2 n 1 E1
2
2 n!
and energy eigen value is given by
E n = (n+1/2) ; n = 0, 1, 2, 3, ....
The wave function of Harmonic oscillator is shown
H 0 ( ) = 1 , H1 ( ) = 2 , H 2 ( ) = 4 2 -2
It n and m wave function of Harmonic oscillator then m x n x dx mn
Number operator
Px2 1
The Hamiltonian of Harmonic operator is given by H m 2 X 2
2m 2
Consider dimensioned operator as Xˆ , Pˆ , Hˆ where
ˆ 1
X
m
X Px m Pˆx
2
H Hˆ so Hˆ Pˆx2 Xˆ 2 .
1 1 ˆ
Consider lowering operator a
2
Xˆ iP x and raising a†
2
X iPx
Hˆ N 1 / 2
1
N n n n and H n N n
2
1
H n n n where n = 0, 1, 2, 3,………
2
a n n n 1 but a0 0
a n n 1 n 1
X
a a , PX
a a
m
2m 2i
X 0, PX 0
1
X 2 2n 1, PX2 n m
2m 2
1
X PX n , for n 0; X PX
2 2
and PX i , PY i , p Z i
x y z
Commutation relation
Lx , Ly i Lz , Ly , Lz iLx , Lz , Lx iLy
1 1 2
L2 operator is given by L2 2 sin 2 2
sin sin
harmonics .
The normalized spherical harmonics are given by
Yl m ( , ) 1
m 2l 1 l m !
Pl m cos eim l m l
4 l m !
1
Y00 ,
4
3 3 3
Y11 , sin ei , Y10 , cos , Y11 , sin ei
8 4 8
L2Yl m , l l 1 2Yl m , l = 0, 1, 2, ……. And
Degeneracy of L2 is 2l 1 .
2
m m
Orthogonality Relation d Yl , Yl , sin d ll ' mm '
0 0
Lz l ,, m m l , m m l ...0,...l
L l , m l l 1 m m 1 l , m 1
L l , m l l 1 m m 1 l , m 1
2
Lx 0 , Ly 0 L2X LY2 l l 1 m 2
2
2
LX LY l l 1 m 2
2
S 2 , S X 0 , S 2 , SY 0 S 2 , S Z 0 and
S X , SY iSZ SY , SZ iS X SZ , S X iSY
S 2 s, ms s s 1 2 s, ms S z s, ms m s, ms where s ms s
S s, ms s s 1 ms ms 1 s, ms 1
S s, ms s s 1 ms ms 1 s, ms 1
0 1 0 i 1 0
Sx Sy Sz
2 1 0 2 i 0 2 0 1
0 1 0 0
S S
0 0 1 0
3 2 1 0
S2
4 0 1
1 1
For spin ½ the quantum number m takes only two values ms and . So that two
2 2
states are
1 1 1 1
S , ms , and ,
2 2 2 2
1 1 3 2 1 1 1 1 3 2 1 1
S2 , , , S2 , ,
2 2 4 2 2 2 2 4 2 2
1 1 1 1 1 1 1 1 1 1
Sz , , , Sz , ,
2 2 2 2 2 2 2 2 2 2
1 1 1 1 1 1
S , 0 , S , ,
2 2 2 2 2 2
1 1 1 1 1 1
S , , , S , 0
2 2 2 2 2 2
4.3 Total Angular Momentum
Total angular momentum J = L + S , J J xiˆ J y ˆj J z kˆ
J 2 j , m j j j 1 2 j , m j , J z j , m j m j j , m j
J j, m j j j 1 m j m j 1 j , m j 1
J j, m j j j 1 m j m j 1 j, m j 1
J z Lz S z j m j j and ml ms m j
2 2 2
E
2 m x 2 y 2
x and y are independent variable. Thus
1 ikx x ik y y
n x, y e e
2
1 i k r
e
2
2 2 2 2
Energy Eigen value
2m
k x k y2
2m
k
As total orientation of k which preserve its magnitude is infinite. So energy of free
particle is infinitely degenerate.
5.2 Square Well Potential
V x 0 x a and 0 y a
otherewise
2 2 2
H E
2m x 2 y 2
2 2 2
Ground state
2ma 2 (1, 1) Non degenerate
5 2 2
First state
2ma 2 (1, 2), (2,1) 2
8 2 2
Second state
2ma 2 (2, 2) Non-degenerate
En n 1
2 2 2 2
E
2 m x 2 y 2 z 2
Hence x, y, z are independent variable. Using separation of variable one can find the
1 ik y y ik z z 3/ 2
k x, y , z e ikn x e e 2 eik .r
2 3/ 2
2 2 2 2
Energy Eigen value
2m
k x k y2 k z2
2m
k
As total orientation of k which preserve its magnitude is infinite, the energy of free
particle is infinitely degenerate.
= other wise .
The Schrodinger wave equation for three dimensional box is given by
2 2 2 2
H E
2m x 2 y 2 z 2
Solution of the Schrödinger is given by Eigen function nx ny nz and energy eigen value
is Enx n y nz is given by
8 n x n yy n zz
nx n y nz sin x sin sin
Lx L y Lz Lx L y Lz
2 2 n x2 n 2y n z2
En x n y n z 2 2 2
2m L L Lz
x y
8 n x n yy n z z
nx n y nz 3
sin x sin sin
a a a a
2 2 2
En x n y n z
2ma 2
n x n 2y n z2 nx 1, 2,3... n y 1, 2, 3... nz 1, 2,3...
3
Enx n y nz nx n y nz where n nx n y nz n 0,1, 2,3...
2
1
Degeneracy is given by = n 1n 2
2
2 1 2 L2
r V r
2m r 2 r r 2mr 2
u r
To solve these equations f r
r
So one can get
2 d 2u l l 1 2
2
V r 2
E u 0
2m dr 2mr
l l 1 2 l l 1 2
Where is centrifugal potential and V r is effective potential
2 mr 2 2mr 2
The energy Eigen function in case of central potential is written as
u r
r , , f r Ylm , Ylm ,
r
The normalization condition is
2
r , , d 1
2 2
u r 2
r 2 dr Ylm , sin d d 1
0
r 0 0
2 2
u r dr 1 or R r r 2 dr 1
0 0
R,r R r
The Schronginger equation is given by
2 2
h 1
2R R
h 1
2R r V r E
2M R
2 r
Separating R and r part
2 2
2M
R E R R
2 2
r r V r r
2
Total energy E = E R + E r
ER is Energy of centre of mass and Er is Energy of reduce mass µ
1
2 k 2
R 3/ 2
ei k R ER
2 2M
me e4 13.6
The energy eigen value is given by En = 2
eV n 1, 2,3...
2 4 0 n
2 2 n2
4 0 2 n 2
And radius of n th orbit is given by rn n 1, 2,3... where me is mass of
m e2
electron and e is electronic charge.
n is known as participle quantum number which varies as n l 1, n 2,... For the
given value of n the orbital quantum number n can have value between 0 and n 1 (i.e. l
= 0, 1, 2, 3, ….. n – 1) and for given value of l the Azimuthal quantum number m varies
from – l to l known as magnetic quantum mechanics .
Degeneracy of Hydrogen atom without spin = n 2 and if spin is included the degeneracy
n1
is given by g n 2 2l 1 2n 2
l 0
n l E(eV) Rnl
3/ 2
z
2 e zr / a0
1 0 -13.6z 2
a0
3/ 2
z zr zr / 2 a0
2 e
2 0 - 3.4 z 2
2a0 a0
3/ 2
1 z0 zr zr / 2a0
e
2 0 - 3.4 z 2 24 a0 a0
The radial wave function for hydrogen atom is Laguerre polynomials and angular part of
the wave function is associated Legendre polynomials .
R20 r
R10 r R21
r r / a0 r r / a0 r / a0
For the nth state there is n – l – 1 node
If R nl is represented by n, l then
1 2
nl r nl 3n l l 1 a0
2
1
nl r 2 nl n2 5n 2 1 3l l 1 a02
2
1
nl r 1 nl 2
n a0
2
nl r 2 nl 3
n 2l 1 a02
7. Perturbation Theory
7.1 Time Independent Perturbation Theory
7.1.1 Non-degenerate Theory
For approximation methods of stationary states
H Ho H P
Where H Hamiltonian can be divided into two parts in that H o can be solved exactly
of H o is non degenerate
m W n
First order Eigen function correction n1 m
m n En0 Em0
m W n
And wave function up to order correction in n n m
m n En0 Em0
2
2 m W n
Second order energy correction En
m n En 0 Em 0
2
2 2
m W n
Energy correction up to order of En E0 n W n
m n En 0 Em 0
then diagonalised H p and find Eigen value and Eigen vector of diagonalized H p which
Where w fi
E f Ei
and w fi
f Ho f i Ho i
8. Variational Method
Variational method is based on energy optimization and parameter variation on the basis
of choosing trial wave function.
1. On the basis of physical intuition guess the trial wave function. Say
o o 1 , 2 , 3 ,..... n where 1 , 2 , 3 are parameter.
Eo
3. Find 1 , 2 , 3 ,..... n 0
i
Find the value of 1 , 2 , 3 ,..... so that it minimize E0.
4. Substitute the value of 1 , 2 , 3 ,..... in E0 1 , 2 , 3 ,..... one get minimum value
of E0 for given trial wave function.
5. One can find the upper level of 1 on the basis that it must be orthogonal to 0 i.e.
1 0 0
Once 1 can be selected the 2, 3, 4 step can be repeated to find energy the first Eigen
state.
c2' i c2" i
II exp P x ' dx exp P x ' dx '
P x P x x
c3 1 x
III exp P x ' dx '
P x x2
9.1.1 Quantization of the Energy Level of Bound state
Case I: When both the boundary is smooth
1
p( x)dx (n 2 ) where n 0,1, 2...
x2
1
2 2m En V x dx n where n 0, 1, 2,...... and x1 and x2 are turning
x1 2
point
Case II: When one the boundary is smooth and other is rigid
x2
3
p( x)dx (n 4 )
x1
where n 0,1, 2...
x2
3
2m En V x dx n where n 0, 1, 2,...... and x1 and x2 are turning
x1 4
points
Head office Branch office
fiziks, H.No. 23, G.F, Jia Sarai, Anand Institute of Mathematics,
Near IIT, Hauz Khas, New Delhi-16 28-B/6, Jia Sarai, Near IIT
Phone: 011-26865455/+91-9871145498 Hauz Khas, New Delhi-16
Website: www.physicsbyfiziks.com
Email: [email protected] 39
fiziks
Institute for NET/JRF, GATE, IIT-JAM, JEST, TIFR and GRE in PHYSICAL SCIENCES
p( x)dx (n 1)
x1
where n 0,1, 2...
x2
points .
9.1.2 Transmission probability from WKB
T is defined as transmission probability through potential barrier V is given by
x
1 2
T exp 2 where 2m En V x dx and x1 and x2 are turning points.
x1
i.e Pij (1 23 ....i ... j ... N ) (1 23 .... j ...i ... N )
sign is for symmetric wave function s and sign for anti symmetric wave
function a .
For boson total wave function(space and spin) is symmetric i.e if space part is symmetric
spin part will also symmetric and if space part is ant symmetric space part will also also
anti symmetric.
11.3 Particle with Half-integral Spins
Particle with half-odd-integral spins or fermions have anti-symmetric.
For two identical particle:
1
a 1 2 1, 2 2 ,1
2
For three identical particle:
1 1 , 2 , 3 1 , 3 , 2 2 , 3 , 1
a 1 2 3
6 2 , 1 , 3 3 , 1 , 2 3 , 2 , 1
For fermions total wave function(space and spin) is anti symmetric .ie if space part is
symmetric spin part will anti symmetric and if space part is ant symmetric space part will
also symmetric.
o
k
Incident wave is given by inc r Aeiko .r . If particle is scattered with angle θ which is
angle between incident and scattered wave vector ko and k Scattered wave is given by
eik .r
sc r Af , , where f , is called scattering amplitude wave function.
r
iko r e iko r
is superposition of incident and scattered wave Ae f ,
r
d k 2
differential scattering cross section is given by f , where is solid angle
d ko
d 2
For elastic collision f ,
d
2
d 4 2
Where q ko k 2k sin for and for ko k r 'V r ' sin qr ' dr '
2 d 4 q 2 0
is Legendre polynomial.
eikr
r , il 2l 1 J l kr Pl cos f r
l 0
1
f
k
2l 1 eil sin l Pl cos
Total cross section is given by
4
l 2l 1 sin 2 l
l 0 k 2 l 0
Where σl is called the partial cross section corresponding to the scattering of particles in
various angular momentum states and l is phase shift .
p2 p2 p2
E and E i where
2m 2m 2m t
p i is the momentum operator ( being the del operator).
The Schrödinger equation suffers from not being relativistic ally covariant, meaning it
does not take into account Einstein's special relativity .It is natural to try to use the
This, however, is a cumbersome expression to work with because the differential operator
cannot be evaluated while under the square root sign.
2
which simplifies to 2c 2 2 m 2c 4
t 2
1 2 2 m 2 c 2
Rearranging terms yields E
c 2 t 2 2
Since all reference to imaginary numbers has been eliminated from this equation, it can
be applied to fields that are real valued as well as those that have complex values.
m2c 2
Using the inverse of the Murkowski metric we ge 0 where
2
( 2 ) 0
mc
In covariant notation. This is often abbreviated as ( 2 ) 0 where and
1 2
2 2
2
c t
This operator is called the d’Alembert operator . Today this form is interpreted as the
relativistic field for a scalar (i.e. spin -0) particle. Furthermore, any solution to the Dirac
equation (for a spin-one-half particle) is automatically a solution to the Klein–Gordon
equation, though not all solutions of the Klein–Gordon equation are solutions of the Dirac
equation.
1 2
Klein –Gordon relation for free particle is given by 2 E
c 2 t 2
dispersion relation from free wave equation ( r , t ) exp i( k.r t ) which can be
1 2
obtained by putting the value of in 2 E equation we will get
c 2 t 2
2 m 2c 2
dispersion relation which is given by k 2 2 .
k2
Eˆ 1 pˆ x 2 pˆ y 3 pˆ z m
Eˆ 2 1 pˆ x 2 pˆ y 3 pˆ z m 1 pˆ x 2 pˆ y 3 pˆ z m
i i 0
i2 1
2 1
Therefore, parameters α and β cannot be numbers. However, it may and does work if they
are matrices, the lowest order being 4×4. Therefore, ψ must be 4-component vectors.
Popular representations are
0 i 1 0
i and
i 0 0 1
where i are 2 2 Pauli matrices:
0 1 0 i 1 0
1 2 3
1 0 i 0 0 1
The equation is usually written using γµ-matrices, where i i for
The equation is usually written using γµ-matrices, where i i for i 1, 2,3 and
0 (just multiply the above equation with matrix β and move all terms on one side of
the equation):
0 i 1 0
i m 0 where i and 0
x i 0 0 1
Find solution for particles at rest, i.e. p=0:
1
2
i 0 m 0
t 3
4
1 0 A
i m A
t 0 1 B B
It has two positive energy solutions that correspond to two spin states of spin-½
electrons:
1 0
A e imt and A e imt
0 1
and two symmetrical negative-energy solutions
1 0
B e imt and B e imt
0 1