Many-body Greens Functions

Propagating electron or hole interacts with other e-/h+

Interactions modify (renormalize) electron or hole energies
Interactions produce finite lifetimes for electrons/holes (quasi-particles)
Spectral function consists of quasi-particle peaks plus background
Quasi-particles well defined close to Fermi energy

MBGF defined by

iG(r, t, r ' , t' ) o T H (r, t) H (r ' , t' ) o

i.e. correlation function of field operator averaged over
exact Heisenberg ground state, o

Many-body Greens Functions

Space-time interpretation of Greens function

(x,y) are space-time coordinates for the endpoints of the Greens function
Greens function drawn as a solid, directed line from y to x
Non-interacting Greens function Go represented by a single line
Interacting Greens Function G represented by a double or thick single line
y

Add particle

Remove particle
t

t > t

y,t

Remove particle

G(x,y)
y,t

Add particle
t

t > t

x,t

time

o H (x, t) (y, t' ) o (t t' )

Go(x,y)

time

o H (y, t' ) H (x, t) o (t' t)

x,t

Many-body Greens Functions

Lehmann Representation (F 72 M 372) physical significance of G

iG(r, t, r ' , t' ) o T H (r, t) H (r ' , t' ) o

exact Heisenberg ground state, o
exact Heisenberg state, n , any particle number
n n 1 unit operator in occupation number formalism
iG(r, t, r ' , t' ) o H (r, t) H (r ' , t' ) o (t t' ) - o H (r ' , t' ) H (r, t) o (t' t)
o H (r, t) H (r ' , t' ) o o H (r, t) n n H (r ' , t' ) o

o e iHt S (r )e-iHt n n e iHt'S (r ' )e-iHt' o

e -iHt n e

-i(E n - E o )(t - t')

-iE n t

o S (r ) n n S (r ' ) o

iE t
o e iHt e o o

Many-body Greens Functions

Lehmann Representation (physical significance of G)

iG(r, t, r ' , t' ) o T H (r, t) H (r ' , t' ) o

iG(r, t, r ' , t' ) o S (r ) n n S (r ' ) o e
o S (r ' ) n n S (r ) o e

-i(E n - E o )(t - t')

(t t' ) -

i(E n - E o )(t - t')

(t' t)

iG(r, r ' , ) i d(t - t' )G(r, t, r ' , t' )e i (t t')

o S n n S o
( E n E o ) i

n dr S (r )S (r )

o S n n S o
( E n E o ) i

nS o ( N 1)S o

S o reduces particle number in o by one

Many-body Greens Functions

Lehmann Representation (physical significance of G)

o S n n o n o

connects N and N 1 particle states

E n ( N 1) E o ( N) E n ( N 1) E o ( N 1) E o ( N 1) E o ( N )
E n ( N 1) E o ( N) E n ( N 1) E o ( N 1)

o n n S o o S n

connects N and N 1 particle states

E n ( N 1) E o ( N) E n ( N 1) E o ( N 1) E o ( N 1) E o ( N)
E n ( N 1) E o ( N) E n ( N 1) E o ( N 1)

Many-body Greens Functions

Lehmann Representation (physical significance of G)

Poles occur at exact N+1 and N-1 particle energies
Ionisation potentials and electron affinities of the N particle system
Plus excitation energies of N+1 and N-1 particle systems

Connection to single-particle Greens function

0 is the single - particle (non - interacting) ground state

iG o (r, t, r ' , t' ) 0 H (r, t) H (r ' , t' ) 0 (t t' )
m (r )*n (r ' ) 0 c m (t)c n (t' ) 0 (t t' )
m,n

unocc

n (r)*n (r' )e

-i n (t -t')

(t t' )

0 c m c n 0 mn n unoccupied

Sum limited to unoccupied states as c n 0 0 for states below F

Many-body Greens Functions

Gell-Mann and Low Theorem (F 61, 83)
Expectation value of Heisenberg operator over exact ground state
expressed in terms of evolution operators and the operator in question in
interaction picture and ground state of non-interacting system o

(t)
o O
H
o

o o
(t,0) i
U
I
n!

(t)U
(, t)O
(t,-)
o U
I
I
I
o
(,-)
o U
I
o

dt dt ... dt T H (t )H (t

n t

Many - Body Green' s Function

iG(r, t, r ' , t' )

o T H (r, t) H (r ' , t' ) o

o | o

(t ) Te
)...H
I n

(t')
i dt'H
I
0

F 57

Many-body Greens Functions

Perturbative Expansion of Greens Function (F 83)

iG(x, y )

1
,
o U
I
o

,
o U
I
o
n 0

i n dt

i n dt
n!

n!

n 0

dt ... dt
2

(t )H
(t )...H
(t )(x) (y )
dt
...
dt

T
H
2
n
o
I
1
I
2
I n
o

(t )H
(t )...H
(t )
o T H
I 1
I 2
I n
o

Expansion of the numerator and denominator carried out separately

Each is evaluated using Wicks Theorem
Denominator is a factor of the numerator
Only certain classes of (connected) contractions of the numerator survive
Overall sign of contraction determined by number of neighbour permutations
n = 0 term is just Go(x,y)
x, y are compound space and time coordinates i.e. x (x, y, z, tx)

Many-body Greens Functions

Fetter and Walecka notation for field operators (F 88)
(x) ( ) (x) (-) (x) a b
()
(-)
(x) (x) ( x) a b

( ) (x) ( ) (y ) iG o ( x, y ) t x t y aa
0

t
t
t

( ) (x) ( ) (y ) 0

iG o (x, y )

ty
ty

t y - bb

( ) ( ) ( ) (-)
a b
a b

a a a b ba bb

a a a b ba bb 0

0 similarly

Many-body Greens Functions

Nonzero contractions in numerator of MBGF

(r ) (r ' )(r ' )(r )(x) (y ) (1)

(-1)3 (i)3v(r,r)Go(r,r) Go(r,r) Go(x,y)

(r ) (r ' )(r ' )(r )(x) (y ) (2)

(-1)4(i)3v(r,r)Go(r,r) Go(r,r) Go(x,y)

(r ) (r ' )(r ' )(r )(x) (y ) (3)

(-1)5(i)3v(r,r)Go(x,r) Go(r,r) Go(r,y)

(r ) (r ' )(r ' )(r )(x) (y ) (4)

(-1)4(i)3v(r,r)Go(r,r) Go(x,r) Go(r,y)

(r ) (r ' )(r ' )(r )(x) (y ) (5)

(-1)6(i)3v(r,r)Go(x,r) Go(r,r) Go(r,y)

(r ) (r ' )(r ' )(r )(x) (y ) (6)

(-1)7(i)3v(r,r)Go(r,r) Go(x,r) Go(r,y)

Many-body Greens Functions

x

Nonzero contractions
-(i)3v(r,r)Go(r,r) Go(r,r) Go(x,y)

(1)

+(i)3v(r,r)Go(r,r) Go(r,r) Go(x,y)

(2)

(1)

(2)

x
-(i)3v(r,r)Go(x,r) Go(r,r) Go(r,y)
+(i) v(r,r)Go(r,r) Go(x,r) Go(r,y)

(3)
r

r
3

(4)

y
x

(4)

(5)
(6)
y

r
-(i)3v(r,r)Go(r,r) Go(x,r) Go(r,y)

(3)

y
+(i)3v(r,r)Go(x,r) Go(r,r) Go(r,y)

(5)

(6)

Many-body Greens Functions

Nonzero contractions in denominator of MBGF
Disconnected diagrams are common factor in numerator and denominator

(r ) (r ' )(r ' )(r ) (7)

(r ) (r ' )(r ' )(r ) (8)
r

(-1)3(i)2v(r,r)Go(r,r) Go(r,r)
(-1)4(i)2v(r,r)Go(r,r) Go(r,r)
r

r
(7)

(8)

Numerator = [ 1 +

+]x[

Denominator = 1 +

+]

Many-body Greens Functions

Expansion in connected diagrams

(i )
(t ) ... H
(t )(x) (y )]
iG(x, y )
dt
...
dt

T
[
H
1
m
o
1 1
1 m
o

m!
m 0

iG(x, y) =

connected

Some diagrams differ in interchange of dummy variables

These appear m! ways so m! term cancels
Terms with simple closed loop contain time ordered product with equal times
These arise from contraction of Hamiltonian where adjoint operator is on left
Terms interpreted as

iG o (x, x) t 'limt o T (x, t) (x, t' ) o

o (x)(x) o o (x) non - interacting charge density

Many-body Greens Functions

Rules for generating Feynman diagrams in real space and time (F 97)
(a) Draw all topologically distinct connected diagrams with m interaction lines and
2m+1 directed Greens functions. Fermion lines run continuously from y to x or close
on themselves (Fermion loops)
(b) Label each vertex with a space-time point x = (r,t)
(c) Each line represents a Greens function, Go(x,y), running from y to x
(d) Each wavy line represents an unretarded Coulomb interaction
(e) Integrate internal variables over all space and time
(f) Overall sign determined as (-1)F where F is the number of Fermion loops
(g) Assign a factor (i)m to each mth order term
(h) Greens functions with equal time arguments should be interpreted as G(r,r,t,t+)
where t+ is infinitesimally ahead of t
Exercise: Find the 10 second order diagrams using these rules

Many-body Greens Functions

Feynman diagrams in reciprocal space

For periodic systems it is convenient to work in momentum space

Choose a translationally invariant system (homogeneous electron gas)
Greens function depends on x-y, not x,y
G(x,y) and the Coulomb potential, V, are written as Fourier transforms
4-momentum is conserved at vertices
q2
q3
d 4k
ik .( xy )
G(x, y )
G(k )e
4
q1
2

v(q) d(r - r ' ) v(r, r ' )e-iq.(r r ')

d 4k d 3kd

k.x k.x - t

Fourier Transforms

4
d
xe

iq1.x -iq 2 .x -iq3 .x

q1 q 2 q 3

4-momentum Conservation

Many-body Greens Functions

Rules for generating Feynman diagrams in reciprocal space
(a) Draw all topologically distinct connected diagrams with m interaction
lines and 2m+1 directed Greens functions. Fermion lines run continuously
from y to x or close on themselves (Fermion loops)
(b) Assign a direction to each interaction
(c) Assign a directed 4-momentum to each line
(d) Conserve 4-momentum at each vertex
(e) Each interaction corresponds to a factor v(q)
(f) Integrate over the m internal 4-momenta
(g) Affix a factor (i)m/(2)4m(-1)F
(h) A closed loop or a line that is linked by a single interaction is assigned a
factor ei Go(k,)

Equation of Motion for the Greens Function

Equation of Motion for Field Operators (from Lecture 2)

iG(r, t, r ' , t' )

o T H (r, t) H (r ' , t' ) o

o o

h(r ) (r )
H H , H
H
H
t
dr (r )h(r ) (r )
for H
H
1 H 1 1 H 1

i H H , H H dr2 H (r2 )
H (r2 ) H (r )
t
r r2
1 dr dr (r ) (r )
for H
H
1 2 H 1 H 2
2

1
H (r2 ) H (r1 )
r1 r2

Equation of Motion for the Greens Function

Equation of Motion for Field Operators

t
t

i
H

i
H

i H (r, t) H (r, t), H H (r, t) e

S , H S e
t
t
t
t

i
H

i
H

i
H

e
h(r )(r ) e
e
d
r

(r2 )
2

h(r, t) H (r, t) dr2 H (r2 , t)

t
1

i
H
(r2 )(r ) e
r r2

1
H (r2 , t) H (r, t)
r r2

h
(
r
,
t)

(
r
,
t)

d
r

(
r
,
t)
2 H 2 r r2 H (r2 , t) H (r, t)
t
H

Equation of Motion for the Greens Function

Differentiate G wrt first time argument

iG(x, t, y, t' ) o T H (x, t), H (y, t' ) o

i

G(x, t, y, t' ) o H (x, t) H (y, t' ) (t - t' ) - H (y , t' ) H (x, t) (t'-t) o

t
t
t
o

H (x, t)
(x, t)
H (y, t' ) (t - t' ) - H (y, t' ) H
(t'-t) o
t
t

o H (x, t) H (y, t' ) (t - t' ) - - H (y, t' ) H (x, t) (t - t' ) o

H (x, t)
H (x, t)

o
H (y, t' ) (t - t' ) - H (y, t' )
(t'-t) o
t
t

(y , t' )

o H (x, t), H (y , t' ) o (t - t' )

o

(x, t), H

o (t - t' ) o | o (x - y ) (t - t' )

Equation of Motion for the Greens Function

Differentiate G wrt first time argument

i G(x, t, y , t' ) ih o H (x, t) H (y, t' ) (t - t' ) - H (y , t' ) H (x, t) (t'-t) o

t
1
i dr1
o H (r1 , t) H (r1 , t) H (x, t) H (y, t' ) (t - t' ) o
x r1
i dr1

1
o - H (y, t' ) H (r1 , t) H (r1 , t) H (x, t) (t'-t) o
x r1

(x - y ) (t - t' )
ih iG(x, y ) i dr1

1
o T H (r1 , t) H (r1 , t) H (x, t) H (y, t' ) o
r r1

(x - y ) (t - t' )

1
h G(x, t, y, t' ) i dr1
o T H (r1 , t) H (r1 , t) H (x, t) H (y, t' ) o
x r1
t

(x - y ) (t - t' )

Equation of Motion for the Greens Function

Evaluate the T product using Wicks Theorem

dr1

1
o T H (r1 , t) H (r1 , t) H (x, t) H (y , t' ) o
connected
x r1

Lowest order terms

H (r1 , t) H (r1 , t) H (x, t) H (y , t' )

x
r1

(i)2v(x,r1)Go(x,r1) Go(r1,y)

y (9)
x

H (r1 , t) H (r1 , t) H (x, t) H (y , t' )

r1

(i)2v(x,r1)Go(r1,r1) Go(x,y)

Diagram (9) is the Hartree-Fock exchange potential x G o(r1,y)

Diagram (10) is the Hartree potential x G o(x,y)
Diagram (9) is conventionally the first term in the self-energy
Diagram (10) is included in Ho in condensed matter physics

(10)

Equation of Motion for the Greens Function

One of the next order terms in the T product

1
1

d
1
d
2
d
r

(
1
)

(
2
)

(
2
)

(
1
)

(
r
)

(
r
)

(
x
)

1
H
H
H
H
H 1
H 1
H
H (y )

1 - 2 x - r1
x

(i)3v(1,2) v(x,r1)Go(1,x) Go(r1,2) Go(2,r1) Go(1,y)

r1
(x,1)

The full expansion of the T product can be written exactly as y

dx' (x, x' )G o (x' , y ) is the self - energy

2
Go(1,y)
(11)

x' is a dummy variable (1 in this diagram)

At higher orders some diagrams are repeated and others are unique
Unique diagrams cannot be cut into two by cutting a single Go line
This distinction divides higher order diagrams into proper and
improper diagrams. The latter are generated by iterating proper diagrams

Equation of Motion for the Greens Function

The proper self-energy * (F 105, M 181)

The self-energy has two arguments and hence two external ends
All other arguments are integrated out
Proper self-energy terms cannot be cut in two by cutting a single Go
First order proper self-energy terms *(1)
x
x

x
(9)

Hartree-Fock exchange term

(10) r
1

Hartree (Coulomb) term

Exercise: Find all proper self-energy terms at second order *(2)

Equation of Motion for the Greens Function

Equation of Motion for G and the Self Energy
1
i dr1
o T H (r1 ) H (r1 ) H (x) H (y ) o i dx' (x, x' )G o (x' , y )
x r1

(1) (1) (direct ) (1) (exchange)

(1) (direct )(x, x' ) dr1

1
(x x' )G o (r1 , r1 ) VH (x, x' )
x'r1

Convention in condensed matter physics is to put (1) (direct ) in H

o
( x, x' ) (x, x' ) VH (x, x' )

h VH G(x, y ) i dx' (x, x' )G o (x' , y ) (x - y )

t

x, y , r1 time dependence suppressed here

( x, x' ) is the exchange - correlation potential

Equation of Motion for the Greens Function

Dysons Equation and the Self Energy

h VH G(x, y ) i dx' (x, x' )G o (x' , y ) (x - y )

t

Equation of Motion for G for interacting system

i h VH G o (x, y ) (x - y )
t

H
incl. V )
Equation of Motion for Go for non - interacting system ( H
o
H
G(x, y ) G o (x, y ) dx'dx' ' G o (x, x' ) (x' , x' ' )G o ( x' ' , y )
Dyson' s Equation

Equation of Motion for the Greens Function

Integral Equation for the Self Energy

The self - energy and the proper self energy * are related by
(x, x' ) * (x, x' ) dx' 'dx' ' ' * (x, x' ' )G o (x' ' , x' ' ' )(x' ' ' , x' )
i.e. improper (repeated) terms in the self energy
generated by iterating the proper self energy
* *G o * *G o *G o * ...
Compare dx' (x, x' )G o (x' , y ) and

*
d
x
'

(x, x' )G(x' , y )

using G G o G o G o and * *G o
G o *G o *G o *G o *G o *G o *G o
* G * G o * G o *G o * G o * G o * G o
Hence we may replaceG o by *G in Dyson' s equation

Equation of Motion for the Greens Function

Dysons Equation (F 106)

G(x, y ) G o (x, y ) dx'dx' ' G o (x, x' )* (x' , x' ' )G(x' ' , y )
G(x, y ) G o (x, y ) dx'dx' ' G o (x, x' )(x' , x' ' )G o (x' ' , y )
G(x,y) =
(x,x)=

+
+

In general, is energy-dependent and non-Hermitian

Both first order terms in are energy-independent
Quantum Chemistry: first order self energy terms included in Ho
Condensed matter physics: only direct first order term is in Ho
Single-particle band gap in solids strongly dependent on exchange term

Evaluation of the Single Loop Bubble

One of the 10 second order diagrams for the self energy
The first energy dependent term in the self-energy
Evaluate for homogeneous electron gas (M 170)

, q

, k-q

,
, q

d 3q d
2
i
G
(
k

q
,

)
(

i
V(
q
))
x
, +q
o
3
2 2
d 3 d
x (-1).2.
iG o (, ) iG o ( q, )
3
2 2

, +q i o (q, )

o iG o G o Wick' s Theorem
i o i G o G o iG o iG o
2

Evaluation of the Single Loop Bubble

Polarisation bubble: frequency integral over

d
2 iG o (, ) iG o ( q, )
i
i
iG o (, )
i G o ( q, )
i
q i
Integrand has poles at = - i and = - + +q + i
The polarisation bubble depends on q and
There are four possibilities for and q

kF

q k F

kF

q k F

kF

q k F

kF

q k F

q i
x
i
kF

q k F

Evaluation of the Single Loop Bubble

Integral may be evaluated in either half of complex plane

Anti clockwise
Upper half plane

semi circle in upper half plane

2i residues

lim
d
d rei i
i
1

y
2 r 2 rei rei r 0
q i
1
x
f(z)
i
z a z b
1
kF
q k F
residue f(z) at z a
a b

i
i
residue
for pole at q i
i q i

i 2

q i i

i 2

q i

Evaluation of the Single Loop Bubble

From Residue Theorem

d
2i
1
i
G
(

)
i
G
(

q
,

o
2 o
2 q i
i

q i

Exercise: Obtain this result by closing the contour in the lower half plane

Evaluation of the Single Loop Bubble

Polarisation bubble: continued

d
iG o (, ) iG o ( q, )
For
2

kF

q k F

kF

q k F

Both poles in same half plane

Close contour in other half plane to obtain zero in each case

Exercise: For

kF

q k F

d
i
i
G
(

)
i
G
(

q
,

Show that
o
o
2
q i
d 3
2i
d 3
2i
i o (q, )

2 3 q i 2 3 q i
And that
i oA

kF

q k F

i oB

kF

q k F

Evaluation of the Single Loop Bubble

, q

Self Energy , k-q

, , +q
, q

d 3q d
d 3 d
2
-2
iG o (k q, )(iV(q))
iG o (, ) iG o ( q, )
3
3
2 2
2 2
d 3q d
i
2
A
B

i
V(
q
))

(
q
,

(q, )
o
o
3
2 2 k q i k q

d 3q d
i
2
A

V(
q
)

o (q, )
3
k q i k q
2 2

d 3q

2 3

kF

d 3 d
i
2i
2
2 3 2 V(q) k q i k q q i

poles at k q i k q and q i
k q must be k F otherwise both poles in lower half plane

q k F

Evaluation of the Single Loop Bubble

Self Energy: continued

i
2i
residue
at k q i
k q i q i
2

k F , q k F , k - q k F
q k q i
d 3q
i 2i
2 3
A

d 3
1
2
2 3 V(q) q k q i
k F , q k F , k q k F

d 3q
i 2i
2 3
B

d 3
1
2
2 3 V(q) q k q i
k F , q k F , k q k F

Self energy is energy and wave vector dependent

Evaluation of the Single Loop Bubble

Real and Imaginary Parts

1
a i

a i a 2
a
1
1
Re

P

2
a
a i a

1
Im
(a )

2
a
a i

( x ) lim0

/
from lecture 1
2
2
x

Quasiparticle lifetime diverges as energies approach the Fermi surface

d 3q
d 3
1
2
A
Re( ) 2 P
V(
q
)
q k q
2 3 2 3
d 3q
Im( ) 2
2 3
A

d 3
2
V(
q
)
q k q
2 3

1 Im( A ) F