Manchester Talkgzdfgzdfg

SLE
The Stochastic Liouville Equation

How to Win Friends and Influence Functionals
Gerard McCaul
Kings College London
gerard.mccaul@kcl.ac.uk
July 17, 2017
Gerard McCaul | Kings College London | July 17, 2017 1/1

SLE
Introductions
lev2.jpg chris.jpg
Lev Kantorovich
Chris Lorenz
CANESlogo.png

SLE
This talk
This talk is designed to sketch the derivation and implementation of

the Stochastic Liouville Equation (SLE)
The SLE is an exact description for the dynamics of arbitrary open
quantum system interacting with a harmonic environment
This is a conceptually simple, numerically implementable result
It is also possible to generalise this result to arbitrary initial
conditions.

SLE

SLE | Open Quantum Systems

A little motivation
Quantum theory is very good a describing the behaviour of closed

systems.
Very few systems are truly closed.
What can we do if we want to describe open, dissipative systems?
Is it possible to describe the effect of the environment on an arbitrary
quantum system in simple terms?

Serious attempts to incorporate dissipation into quantum theory begin

with the work of Kanai (1948), Stevens (1958) and Kerner(1958).
The models proposed to describe these dissipative cavities were based
on the classical damped harmonic oscillator.
As expected, this model once quantised gives observable expectation
values that decay.
Unfortunately, later work by Senitzky (1960) showed that any
phenomenological model with damping leads to a decaying
fundamental commutation relation.


As expected,
Damped HarmonicthisOscillator
model once quantised gives observable expectation
values that decay.
mx + x = m 2 x


As expected, this model once quantised gives observable expectation
values that decay.


As expected,
Decaying this model once quantised gives observable expectation
Commutation
values that decay.
[x, p] = i~ exp (Rt)

Explicit environments
This is a problem. Is there a model where dissipation (and

fluctuations) can be included, while still preserving
quantum-mechanical rules?
Consider a quantum system where the environment is modelled
explicitly:
Htot (Q, X) = HQ (Q) + HX (X) + HI (Q, X) (1)

This mixed system of interest is described by a density matrix tot .

We can trace over the environmental coordinates to obtain the
reduced density matrix:
This provides an effective description of the open system in terms of a
modified closed system:
Reduced Density Matrix

Z
0
dx tot q, x; q 0 , x

(q, q ) =
To summarise:
Find !
Gerard McCaul | Kings College London | July 17, 2017 10 / 1

SLE | The Model

SLE | The Model
A Model for the environment
Take a simple model Hamiltonian

Explicitly, we model the environment as one of M harmonic
oscillators with an interaction linear in the oscillator coordinates.
We assume the system is initially partitioned.
To find (t), we evolve tot
0 before tracing over the environment.

SLE | The Model

Model Hamiltonian
oscillators with an interaction
M linear in the M oscillator coordinates.
M
1X 2 1X 2 2 X
H
We tot (q, ) = H (q)
assume the system
q + m
is initially +
i ipartitioned.i i f (q) ci i
2 2
i=1 i i

SLE | The Model


SLE | The Model

Partitioning
tot
We assume the system is initially X
0 = 0partitioned.
0

SLE | The Model


SLE | The Model

Reduced Density matrix
Explicitly, we model the Z environment as one of M harmonic
0
oscillatorswith
t (q, qan dxdx0 dx
) =interaction linear in0 U
dqdq the(q,oscillator
x, t; q, x,coordinates.
0)
tot
tot0 0
q 0 , x0 , 0;over
q 0 , x,the

To find (t), weevolve
0 0q ,before
q,x; x U tracing t environment.

SLE | The Stochastic Liouville Equation

We have an expression for the reduced density matrix, but can we

evaluate it?
Feynman & Vernon (1963) developed a powerful formalism for
dealing with systems of this type, using path integrals to describe the
system of interest without reference to the environment.
Z
0 1
dqdq Dq (t) Dq (t) F q (t) , q 0 (t)
0 0

tf q; q =
Z

0
i i 0
0 q; q exp Sq [q (t)] Sq q (t)
~ ~


evaluate it?
systemFunctional
Influence of interest without reference to the environment.
F [q (t) , q 0 (t)] is the Influence
Z Functional. It characterises the

0 1
0 0

environments tf effect
q; q on = the system.
Z

0
i i 0
~ ~


evaluate it?
system of interest without reference to the environment.
Z
0 1
0 0

tf q; q =
Z

0
i i 0
~ ~


evaluate it?
system
System of interest without reference to the environment.
Action
Sq [q (t)] is the action of 1the isolated
Z system evolving
under the
0
0 0

HamiltoniantH q; q =
f tot = Hq
Z

0
i i 0
~ ~

The Influence functional is a path integral which can be evaluated

analytically.
Unfortunately the reduced density matrix is now also expressed as a
path integral, which in general cannot be solved analytically.
Is it possible to use this to find an effective Hamiltonian to describe
the reduced density matrix?
h i
i~t (t) = Hb eff (t) , (t)
?


analytically.
TheIsInfluence
it possibleFunctional
to use this to find an effective Hamiltonian to describe
theisreduced
...but horrible.density matrix?
h i
i~t (t) = Hb eff (t) , (t)
?


analytically.
TheUnfortunately the reduced density matrix is now also expressed as a
Influence Functional
path integral, which
in0 general cannot
be solved analytically.
1 0
Is it possible toFuseq,this expan
q , qto=find q, qHamiltonian
effective
~
, q to describe
the reduced density matrix? X
q, q 0 , q = h ij q, q 0 , q i

b eff (t) , (t)
i~t (t) = ij H
?

More Influence Functional

0
The Influence functional isij a path
q, q ,integral
q = which can be evaluated
analytically.
Z ~ Z ~
0 1
e 0 0
o also fj 0 as a

Unfortunately
d the
dreduced
fi ( ) density
Lij matrix
isLnow
ij expressed
path0integral,0 which 2in general cannot be solved analytically.
Is it possible to use this totf find an effective Hamiltonian to describe
Z ~ Z
the reduced i d
density matrix? dt vi (t) Lij (t i ) fj ( )
0 0
h i
Z tf Z tf b eff (t)
i~0 t (t) =
H 0 ,I (t)
dt vi (t) ? t t Lij t t0 rj t0

+2i dt
0 0
Z tf Z tf
1
dt0 vi (t) LR 0 0

+ dt ij t t vj t
2 0 0

Yet More Influence Functional

1
vi (t) = fi (t) fi0 (t) and ri (t) =
analytically. fi (t) + f 0i (t)

2
path integral, which1 in X general
ei ecannot be1solved analytically.

e j
Lij ( ) = coth ~ cosh ( )
Is it possible to use
mi mthis
j to find 2an effective 2 Hamiltonian to describe

1 X ei ej
Loij ( ) = h sinh (
i )
i~m m 2 , (t)
b eff
t i(t)j = H (t)
?
X ei ej
R 1 1
Lij (t) = coth ~ cos ( t)
mi mj 2 2



analytically.
Revenge of The Influence Functional
Unfortunately the reduced density matrixis now also
expressed as a
path integral, which1in general
X eicannot
ej 1
be solved analytically.
LIij (t) = coth ~ sin ( t)
Is it possible to usemthis
i mj to find2

effective2Hamiltonian to describe
an
~
1 X eihej cosh i2 + it
Lij (t i ) = i~ (t) = H b eff (t) , (t) 1

mi mjt 2 2 sinh 2 ~
?


analytically.
Is it possible to use this to find an effective Hamiltonian to describe
h i
i~t (t) = Hb eff (t) , (t)
?

Yes!

Use the Hubbard-Stratonovich Transformation!
The HS transformation can be considered as converting a system of

two body potentials into a set of independent particles in a
fluctuating field.
This removes the temporally non-local terms in the influence
functional, and allows for the identification of effective forwards and
backwards propagators for the system.

Explicitly Use the Hubbard-Stratonovich Transformation!

* " #+
X Z tf
The HS transformation
exp i can bedtconsidered
zi (t) ki (t)as converting a system of
two body potentials into 0
i a set of independent particles in a
{z(t)}
fluctuating
field.
1 X Z tf Z tf
This
= removes
exp the temporally dt non-local terms
dt0 ki (t) Ain the0 influence
0
ij t, t kj t

2 allows 0for the 0identification
functional, and of effective forwards and
ij
backwards propagators for theD system. E
A
ij t, t0
= z
i (t) z 0
j t
{z(t)}

Going Forwards by Going Backwards
After the HS transformation, we obtain the Stochastic Liouville Equation

(SLE): h i
i~t e (t) = H b q (t) , (t)

h i h i
~
(t) f (q, t) , (t) + (t) f (q, t) , (t)
2 +

After the HS transformation, we obtain the Stochastic Liouville Equation

(SLE):
Noises h i
i~t e (t) = H b q (t) , (t)
Here and are complex Gaussian coloured noises, with correlation
i
functions determined by the influence ~functional.
h i h

(t) f (q, t) , (t) + (t) f (q, t) , (t)
2 +

Single-trajectory
After density matrix
the HS transformation, we obtain the Stochastic Liouville Equation
(SLE):
e (t) is the single-trajectory reduced h density matrix.i The physical density
i~t e (t)
matrix is found by averaging this=object.
H
b q (t) , (t)

h i h i
he
(t)i ~= (t)
(t) f (q, t) , (t) h,i
+ (t) f (q, t) , (t)
2 +
Importantly, any single realisation of e (t) is meaningless

SLE | Generating Noise

The SLE is an exact equation, but this does not mean a priori that it
is possible to generate the required noises numerically.
To proceed well use a linear filtering ansatz, relating the correlation
functions to a linear filtering kernel, e.g:
Z
dt0 G t t0 x t0

( ) =
0
x (t) x t0 = t t0

Z
0
dt00 G t t00 G t0 t00

(t) t =
0

etaeta.png

etanu.png

SLE | Generalisations of the SLE

Lets return to the assumption that the system is initially partitioned. It is

possible to generalise this statement:
H tot
tot
0 =e 6= 0 X
0

britain.png

A New Initial Condition
Using a path integral expression for the initial density matrix, we find that
the system can be described using the same Liouville equation, but with a
new, more general initial condition that we find via the following
differential equation:
( ) 1h i
= Hq + f(q, )( ) ( ) (2)
~
h(~)i,, = (0) (3)

A New Initial Condition
Using a path integral expression for the initial density matrix, we find that
the system can be described using the same Liouville equation, but with a
new, more general initial condition that we find via the following
differential
A note onequation:

In this more general case,
( ) the1 h is not independent i of the noises in the
real-time evolution, = H
and has non-zeroq + f (q, )( )
correlations with( ) (2)
~
h(~)i,, = (0) (3)

matrixevolutionwitharrows.jpeg

mumu.png

cross-corrfirst.png

crosscorrtauslice50kruns.png

References
R.P. Feynman (1948)

Rev. Mod. Phys. 20, 367
R.P. Feynman, F.L. Vernon Jr. (1963)

Ann. Phys. 24, 118-173
H. Grabert, P. Schramm. G. Ingold (1988)

Physics Reports 3, 115-207
H. Kleinert, S.V. Shabanov (1995)

Phys. Lett. A. 200, 224-232
J. Stockburger (2004)
J. Chem. Phys. 296, 159-169
G.M.G McCaul, C.D. Lorenz, L. Kantorovitch (2017)

Phys. Rev. B 95, 125124

Thanks for listening!

noiseeffect.png

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SLE

The Stochastic Liouville Equation

July 17, 2017

Gerard McCaul | Kings College London | July 17, 2017 1/1

Gerard McCaul | Kings College London | July 17, 2017 2/1

This talk is designed to sketch the derivation and implementation of

Gerard McCaul | Kings College London | July 17, 2017 3/1

Gerard McCaul | Kings College London | July 17, 2017 4/1

Gerard McCaul | Kings College London | July 17, 2017 5/1

Quantum theory is very good a describing the behaviour of closed

Gerard McCaul | Kings College London | July 17, 2017 6/1

Serious attempts to incorporate dissipation into quantum theory begin

Gerard McCaul | Kings College London | July 17, 2017 7/1

Serious attempts to incorporate dissipation into quantum theory begin

Gerard McCaul | Kings College London | July 17, 2017 7/1

Serious attempts to incorporate dissipation into quantum theory begin

Gerard McCaul | Kings College London | July 17, 2017 8/1

Serious attempts to incorporate dissipation into quantum theory begin

Gerard McCaul | Kings College London | July 17, 2017 8/1

This is a problem. Is there a model where dissipation (and

Htot (Q, X) = HQ (Q) + HX (X) + HI (Q, X) (1)

Gerard McCaul | Kings College London | July 17, 2017 9/1

This mixed system of interest is described by a density matrix tot .

Reduced Density Matrix

Gerard McCaul | Kings College London | July 17, 2017 10 / 1

Gerard McCaul | Kings College London | July 17, 2017 11 / 1

A Model for the environment

Take a simple model Hamiltonian

Gerard McCaul | Kings College London | July 17, 2017 12 / 1

A Model for the environment

Take a simple model Hamiltonian

Gerard McCaul | Kings College London | July 17, 2017 12 / 1

A Model for the environment

Take a simple model Hamiltonian

Gerard McCaul | Kings College London | July 17, 2017 13 / 1

A Model for the environment

Take a simple model Hamiltonian

Gerard McCaul | Kings College London | July 17, 2017 13 / 1

A Model for the environment

Take a simple model Hamiltonian

Gerard McCaul | Kings College London | July 17, 2017 14 / 1

A Model for the environment

Take a simple model Hamiltonian

Gerard McCaul | Kings College London | July 17, 2017 14 / 1

Gerard McCaul | Kings College London | July 17, 2017 15 / 1

We have an expression for the reduced density matrix, but can we

Gerard McCaul | Kings College London | July 17, 2017 16 / 1

We have an expression for the reduced density matrix, but can we

Gerard McCaul | Kings College London | July 17, 2017 16 / 1

We have an expression for the reduced density matrix, but can we

Gerard McCaul | Kings College London | July 17, 2017 17 / 1

We have an expression for the reduced density matrix, but can we

Gerard McCaul | Kings College London | July 17, 2017 17 / 1

The Influence functional is a path integral which can be evaluated

Gerard McCaul | Kings College London | July 17, 2017 18 / 1

The Influence functional is a path integral which can be evaluated

Gerard McCaul | Kings College London | July 17, 2017 18 / 1

The Influence functional is a path integral which can be evaluated

Gerard McCaul | Kings College London | July 17, 2017 18 / 1

More Influence Functional

Gerard McCaul | Kings College London | July 17, 2017 18 / 1

Yet More Influence Functional

Gerard McCaul | Kings College London | July 17, 2017 18 / 1

The Influence functional is a path integral which can be evaluated