The Schrodinger-Gibbs

ensemble, entanglement
and non-extensive
thermodynamics
Jesus Clemente-Gallardo
BIFI-Departamento de Fsica Te
orica
Universidad de Zaragoza

10-II-2015
Martes cuantico

Contents

1 Introduction
2 Schr
odinger-Gibbs distribution
3 Example: ensemble of two level systems
4 Ensemble of two level systems at high temperatures
5 Conclusions and outlook

joint work with J. L. Alonso, A, Castro, J. C. Cuch, P.

Echenique-Robba, J. G. Esteve and F. Falceto

Introduction
Contents

1 Introduction
2 Schr
odinger-Gibbs distribution
3 Example: ensemble of two level systems
4 Ensemble of two level systems at high temperatures
5 Conclusions and outlook

Introduction
Describing a statistical ensemble

Introduction
Describing a statistical ensemble

Introduction
Describing a statistical ensemble

Introduction
Describing a statistical ensemble

Introduction
Describing a statistical ensemble

Introduction
Describing a statistical ensemble

Introduction
Describing a statistical ensemble

Introduction
Describing a statistical ensemble

Description of the quantum system is done as a probability

distribution defined on the space of physical states S.
Z
S

dQ ()FQ ()) = 1,

The expection value of any quadratic function fA = h|Ai

associated to a Hermitian operator A is obtained as
hAi :=

Z
S

dQ ()FQ ()fA (),

Description of the quantum system is done as a probability

distribution defined on the space of physical states S.
Z
S

dQ ()FQ ()) = 1,

The expection value of any quadratic function fA = h|Ai

associated to a Hermitian operator A is obtained as
hAi :=

Z
S

dQ ()FQ ()fA (),

The generalized microcanonical ensemble corresponds to

FQ () = (E fH ());

The generalized canonical ensemble corresponds to

FQ () = Z 1 e fH () ;

Z=
S

dQ ()e fH () .

Introduction
Describing a quantum system

Introduction
Describing a quantum system

Theorem (Gleason)
Given a measure on the closed subspaces of a separable Hilbert
space H of dimension at least 3, there exists a positive
semi-definite self-adjoint trace-class operator on H, such that for
all closed subspaces A H,
(A) = Tr(PA ),
where PA is the orthogonal projection of H onto A.

What is the density matrix associated to a density distribution?

What is the density matrix associated to a density distribution?

Proposition
Given a probability density FQ on the space of states S H
satisfying
Z
S

dQ ()FQ ()) = 1,

the expection value of any quadratic function fA = h|Ai

associated to a Hermitian operator A
Z

hAi :=

dQ ()FQ ()fA (),

can be obtained as the trace

hAi = Tr(A),
where
Z

=
S

dQ ()FQ ()|ih|

Schrodinger-Gibbs distribution
Contents

1 Introduction
2 Schr
odinger-Gibbs distribution
3 Example: ensemble of two level systems
4 Ensemble of two level systems at high temperatures
5 Conclusions and outlook

Schrodinger-Gibbs distribution
The definition
We shall focus on the case of the distribution
FQSG =

e fH
,
Z SG

where the partition function corresponds to

Z SG =

Z
S

dQ ()e fH ()

and the corresponding density matrix will be written as

SG =

Z
S

dQ ()e fH () |ih|.

Proposition
For any time-independent Hamiltonian H, SG is stationary, i.e.
[
SG , H] = 0

d SG
=0
dt

Proposition
For any time-independent Hamiltonian H, SG is stationary, i.e.
[
SG , H] = 0

d SG
=0
dt

Proposition
For a Hamiltonian with eigenvalues {Ek }k=0, ,p and degeneracies
{dk }
Z SG =

p
X

e Ek FEk ,

k=0

where
FEk

(2)n
=
(dk 1)!

dX
k 1
j0 , ,jp =0
j0 +j1 +jp =dk 1

dk 1
j0 , , jp

! p
(ds +js 1)!
Y (1)j0 (d
s 1)!
s=0
s6=k

(Es Ek )ds +js

The corresponding density matrix

X

SG =

|Ek ihEk |
,
hEk |Ek i

where the eigenvalue k corresponding to the eigenvector |Ek i is

equal to:
1
k = SG
kk = ZSG

d(|i)e

P
j

Ej |j |2

|k |2 ,

with |i = j j |Ej i.
Each k is thus obtained as a suitable derivative of the partition
function Z SG
P

k =

e Ek FEk
log Z SG
=
1
Ek
Z SG

Pp

Ej FEj
Ek
Z SG

j=0 e

Schrodinger-Gibbs distribution
Non-extensiveness and entanglement

Schrodinger-Gibbs distribution
Non-extensiveness and entanglement
Theorem
Consider then that the total Hilbert space H is equal to the tensor
product of the Hilbert spaces describing the corresponding
subsystems, i.e.,
H = H1 Hm ,
and assume a non-interacting Hamiltonian
=
H

m
X
=1

=
H

m
X

In In

1
1 h In+1 Inm .

=1

The SG partitition function does not factorize for any number of

factors
Z

SG

6=

m
Y

=1

ZSG ,

m.

The partition functions for the individual subsystems and for the
composite system will read, respectively:
Z1SG =

Z2SG

S n1

and
SG
Z12
=

S n2

d(| 1 i)e h

1 |H
1 1 i

d(| 2 i)e h

2 |H
2 2 i

Z
S n1 n2

,
,

d(|i)e h|Hi ,

where S n1 , S n2 and S n1 n2 represent the (n1 1)-dimensional,

(n2 1)dimensional and (n1 n2 1)-dimensional spheres.

(1)

The partition functions for the individual subsystems and for the
composite system will read, respectively:
Z1SG =

Z2SG

S n1

and
SG
Z12
=

S n2

d(| 1 i)e h

1 |H
1 1 i

d(| 2 i)e h

2 |H
2 2 i

Z
S n1 n2

,
,

d(|i)e h|Hi ,

(1)

where S n1 , S n2 and S n1 n2 represent the (n1 1)-dimensional,

(n2 1)dimensional and (n1 n2 1)-dimensional spheres.
We can write the product of two integrals like that of Eq. (1) as
(Z1SG )(Z2SG ) =

Z
S n1 S n2

d1 (| 1 i)d2 (| 2 i)e h

1 |H
1 1 i

e h

2 |H

2i

= 1 2 =

X
k

Thus

k1 |ek1 i

X
2 |e 2 i .
j

= 1 2 =

X
k

k1 |ek1 i

X
2 |e 2 i .
j

Thus
(Z1SG )(Z2SG ) =

Z
S n1 S n2

d1 (| 1 i)d2 (| 2 i)e h|Hi .

(2)

Eqs. (2) and (1) integrate the same function but Eq. (2) only
over the separable states of S n1 n2 H = H1 H2 ; while Eq. (1)
integrates over all states, both separable and entangled.

= 1 2 =

X
k

k1 |ek1 i

X
2 |e 2 i .
j

Thus
(Z1SG )(Z2SG ) =

Z
S n1 S n2

d1 (| 1 i)d2 (| 2 i)e h|Hi .

(2)

Eqs. (2) and (1) integrate the same function but Eq. (2) only
over the separable states of S n1 n2 H = H1 H2 ; while Eq. (1)
integrates over all states, both separable and entangled.

Proposition
Integration over entangled states is the origin of the
non-factorizability of the partition function Z SG .

Example: ensemble of two level systems

Contents

1 Introduction
2 Schr
odinger-Gibbs distribution
3 Example: ensemble of two level systems
4 Ensemble of two level systems at high temperatures
5 Conclusions and outlook

Example: ensemble of two level systems

The model
Nk

k1

=
H

k =
H

}|

Xz

}|

k I2 I2 ,
I2 I2 h

where I2 stands for the identity operator in two dimensions and the
k can be written in the corresponding
one-particle Hamiltonian h
eigenbasis as
!

k =
h

0 0
,
0

where represents the energy-gap.

k = 1, , N,

Example: ensemble of two level systems

The model
Nk

k1

=
H

k =
H

}|

Xz

}|

k I2 I2 ,
I2 I2 h

where I2 stands for the identity operator in two dimensions and the
k can be written in the corresponding
one-particle Hamiltonian h
eigenbasis as
!

k =
h

0 0
,
0

k = 1, , N,

where represents the energy-gap.

!

{|Ek i}k ;

Ek = k;

dk =

N
,
k

k = 0, , N.

Example: ensemble of two level systems

Thermodynamics
Helmholtz potential
F = 1 log Z SG ,

Example: ensemble of two level systems

Thermodynamics
Helmholtz potential
F = 1 log Z SG ,
Internal energy
log Z SG
1
U=
= SG

Z
S

d()e fH () fH ()

Example: ensemble of two level systems

Thermodynamics
Helmholtz potential
F = 1 log Z SG ,
Internal energy
log Z SG
1
U=
= SG

Z
S

d()e fH () fH () = Tr SG H ,

Example: ensemble of two level systems

Thermodynamics
Helmholtz potential
F = 1 log Z SG ,
Internal energy
log Z SG
1
U=
= SG

Z
S

thermodynamic entropy S th
*

th

log

e fH
Z SG

d()e fH () fH () = Tr SG H ,

!+

= kB log Z

SG

log Z SG

Example: ensemble of two level systems

Thermodynamics
Helmholtz potential
F = 1 log Z SG ,
Internal energy
log Z SG
1
U=
= SG

Z
S

d()e fH () fH () = Tr SG H ,

thermodynamic entropy S th
*

th

log

e fH
Z SG

!+

= kB log Z

SG

log Z SG

6= Tr SG 

Example: ensemble of two level systems

Thermodynamics
Helmholtz potential
F = 1 log Z SG ,
Internal energy
log Z SG
1
U=
= SG

Z
S

d()e fH () fH () = Tr SG H ,

thermodynamic entropy S th
*

th

log

e fH
Z SG

!+

= kB log Z

SG

log Z SG

specific heat
Cv = 2

6= Tr SG 

S th

0.2

0.4

0.6

0.8

1.0

-0.002

-0.004

-0.006

-0.008

-0.010

th
th
th
Figure : Plot of the functions SN=1
(dotted line), SN=2
(thin line), SN=3
5
(thick line) versus T for kB = 8.617 10 and = 0.001 for the SG
ensemble.

U
0.0010

0.0008

0.0006

0.0004

0.0002

0.0

0.2

0.4

0.6

0.8

1.0

Figure : Plots of the internal energy of the SG ensemble vs. T with

N = 1 (dotted line), N = 2 (thin line), N = 3 (thick line) and for
kB = 8.617 105 and = 0.001.

Cv
0.0010

0.0008

0.0006

0.0004

0.0002

0.0

0.2

0.4

0.6

0.8

1.0

Figure : Plots of the specific heat of the SG ensemble vs. T with N = 1

(dotted line), N = 2 (thin line), N = 3 (thick line) and for
kB = 8.617 105 and = 0.001.

S c,th
0.00020

0.00015

0.00010

0.00005

10

Figure : Plots of the entropy S c,th of the canonical ensemble vs. T with
N = 1 (dotted line), N = 2 (thin line), N = 3 (thick line) and for
kB = 8.617 105 and = 0.001.

We can consider the density matrix SG

We can consider the density matrix SG

SG
N=1


=

e e + 1

(1 e )


 1
1
|E01 ihE01 |
+ e 1 |E
ihE
|

1 |E 1 i ,
(1 e )
hE01 |E01 i
hE

We can consider the density matrix SG

SG
N=1

SG
N=2


=

e e + 1

(1 e )


 1
1
|E01 ihE01 |
+ e 1 |E
ihE
|

1 |E 1 i ,
(1 e )
hE01 |E01 i
hE


2 + ( 3) sinh() + ( 2) cosh() + 2 |E02 ihE02 |
=
2(sinh() )
hE02 |E02 i
 2 2
 2a
2a
2 cosh() + 2 |E ihE
|
+
+
2b
2a
2 2 sinh()
hE |E i
 2b
 2 2
2b
ihE
|
2 cosh() + 2 |E
+
+
2b
2b
2
2
sinh()
hE |E i


2 ( + 3) sinh() + ( + 2) cosh() 2 |E2 ihE2 |
+
2( sinh())
hE2 |E2 i


We can consider the density matrix SG

SG
N=1

SG
N=2


=

e e + 1

(1 e )


 1
1
|E01 ihE01 |
+ e 1 |E
ihE
|

1 |E 1 i ,
(1 e )
hE01 |E01 i
hE


2 + ( 3) sinh() + ( 2) cosh() + 2 |E02 ihE02 |
=
2(sinh() )
hE02 |E02 i
 2 2
 2a
2a
2 cosh() + 2 |E ihE
|
+
+
2b
2a
2 2 sinh()
hE |E i
 2b
 2 2
2b
ihE
|
2 cosh() + 2 |E
+
+
2b
2b
2
2
sinh()
hE |E i


2 ( + 3) sinh() + ( + 2) cosh() 2 |E2 ihE2 |
+
2( sinh())
hE2 |E2 i


SG
SG
SG
SG
SG
N=2 6= N=1 N=1 6= Tr1
N=2 Tr1
N=2

S vn = Tr SG log SG



= log SG 6= S th

S vn
0.00014
0.00012
0.00010
0.00008
0.00006
0.00004
0.00002

0.0

0.2

0.4

0.6

0.8

1.0

Figure : Plot of von Neumanns entropy of the SG ensemble for N = 1

(dotted line), N = 2 (thin line) and N = 3 (thick line), vs. T , with
kB = 8.617 105 and = 0.001.

Ensemble of two level systems at high temperatures

Contents

1 Introduction
2 Schr
odinger-Gibbs distribution
3 Example: ensemble of two level systems
4 Ensemble of two level systems at high temperatures
5 Conclusions and outlook

Ensemble of two level systems at high temperatures

Entanglement and temperature
We can consider to measure the entanglement at the level of SG




SG
S corr (T ) = Tr SG
N=2 (T ) log N=2 (T )

2Tr

h

Tr1 SG
N=2 (T ) log

h

i

Tr1 SG
N=2 (T )

Ensemble of two level systems at high temperatures

Entanglement and temperature
We can consider to measure the entanglement at the level of SG




SG
S corr (T ) = Tr SG
N=2 (T ) log N=2 (T )

2Tr

h

Tr1 SG
N=2 (T ) log

h

i

Tr1 SG
N=2 (T )

SCorr
3. 10-6

2.5 10-6

2. 10-6

1.5 10-6

1. 10-6

5. 10-7

10

The entanglement disappears for kB T >> .

The entanglement disappears for kB T >> .

Why?

The entanglement disappears for kB T >> .

Figure : Plot of the probability density for N = 1 vs. T and |z2 |, with
kB = 8.617 105 and = 0.001.

The entanglement disappears for kB T >> .

1
lim SG
N=2 (T ) ' I4
T
4


1
lim Tr1 SG
(T
)
' I2
N=2
T
2

The entanglement disappears for kB T >> .

1
lim SG
N=2 (T ) ' I4
T
4


1
lim Tr1 SG
(T
)
' I2
N=2
T
2

lim S corr (T ) = lim

2Tr

h

SG
Tr SG
N=2 (T ) log N=2 (T )

Tr1 SG
N=2 (T ) log

h



i

Tr1 SG
N=2 (T )

'0

Svn
0.00020

0.00015

0.00010

0.00005

20

40

60

80

100

Figure : Plot of von Neumanns entropy of the SG ensemble for N = 1

(dotted line), N = 2 (thin line) and N = 3 (thick line), vs. T , with
kB = 8.617 105 and = 0.001.

U
0.0020

0.0015

0.0010

0.0005

20

40

60

80

100

Figure : Plot of the internal energy of the SG ensemble (black) and the
canonical ensemble (red) for N = 1 (dotted line), N = 2 (thin line) and
N = 3 (thick line), vs. T , with kB = 8.617 105 and = 0.001.

Conclusions and outlook

Contents

1 Introduction
2 Schr
odinger-Gibbs distribution
3 Example: ensemble of two level systems
4 Ensemble of two level systems at high temperatures
5 Conclusions and outlook

Conclusions and outlook

Conclusions

The definition of an ensemble of quantum systems by means

of the SG density leads to a non-consistent thermodynamics
at low temperatures.

Non-extensiveness arises from the integration over entangled

states.

At high temperatures, extensiveness is recovered.

The SG-ensemble and the canonical ensemble coincide in the

limit T .

Conclusions and outlook

In the next episode ...

The analogue of this ensemble is the natural candidate to

describe a canonical ensemble of hybrid quantum-classical
systems within the Statistical Ehrenfest formalism?

Does it define a non-extensive thermodynamics?

Do we recover a valid thermodynamics in the

high-temperature limit?

Thanks for your attention!