Physics:Green's function (many-body theory)

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Short description: Correlators of field operators

In many-body theory, the term Green's function (or Green function) is sometimes used interchangeably with correlation function, but refers specifically to correlators of field operators or creation and annihilation operators.

The name comes from the Green's functions used to solve inhomogeneous differential equations, to which they are loosely related. (Specifically, only two-point 'Green's functions' in the case of a non-interacting system are Green's functions in the mathematical sense; the linear operator that they invert is the Hamiltonian operator, which in the non-interacting case is quadratic in the fields.)

Spatially uniform case

Basic definitions

We consider a many-body theory with field operator (annihilation operator written in the position basis) ψ(𝐱).

The Heisenberg operators can be written in terms of Schrödinger operators as ψ(𝐱,t)=eiKtψ(𝐱)eiKt,and the creation operator is ψ¯(𝐱,t)=[ψ(𝐱,t)], where K=HμN is the grand-canonical Hamiltonian.

Similarly, for the imaginary-time operators, ψ(𝐱,τ)=eKτψ(𝐱)eKτ ψ¯(𝐱,τ)=eKτψ(𝐱)eKτ. [Note that the imaginary-time creation operator ψ¯(𝐱,τ) is not the Hermitian conjugate of the annihilation operator ψ(𝐱,τ).]

In real time, the 2n-point Green function is defined by G(n)(1n1n)=inTψ(1)ψ(n)ψ¯(n)ψ¯(1), where we have used a condensed notation in which j signifies (𝐱j,tj) and j signifies (𝐱j,tj). The operator T denotes time ordering, and indicates that the field operators that follow it are to be ordered so that their time arguments increase from right to left.

In imaginary time, the corresponding definition is 𝒢(n)(1n1n)=Tψ(1)ψ(n)ψ¯(n)ψ¯(1), where j signifies 𝐱j,τj. (The imaginary-time variables τj are restricted to the range from 0 to the inverse temperature β=1kBT.)

Note regarding signs and normalization used in these definitions: The signs of the Green functions have been chosen so that Fourier transform of the two-point (n=1) thermal Green function for a free particle is 𝒢(𝐤,ωn)=1iωn+ξ𝐤, and the retarded Green function is GR(𝐤,ω)=1(ω+iη)+ξ𝐤, where ωn=[2n+θ(ζ)]πβ is the Matsubara frequency.

Throughout, ζ is +1 for bosons and 1 for fermions and [,]=[,]ζ denotes either a commutator or anticommutator as appropriate.

(See below for details.)

Two-point functions

The Green function with a single pair of arguments (n=1) is referred to as the two-point function, or propagator. In the presence of both spatial and temporal translational symmetry, it depends only on the difference of its arguments. Taking the Fourier transform with respect to both space and time gives 𝒢(𝐱τ𝐱τ)=𝐤d𝐤1βωn𝒢(𝐤,ωn)ei𝐤(𝐱𝐱)iωn(ττ), where the sum is over the appropriate Matsubara frequencies (and the integral involves an implicit factor of (L/2π)d, as usual).

In real time, we will explicitly indicate the time-ordered function with a superscript T: GT(𝐱t𝐱t)=𝐤d𝐤dω2πGT(𝐤,ω)ei𝐤(𝐱𝐱)iω(tt).

The real-time two-point Green function can be written in terms of 'retarded' and 'advanced' Green functions, which will turn out to have simpler analyticity properties. The retarded and advanced Green functions are defined by GR(𝐱t𝐱t)=i[ψ(𝐱,t),ψ¯(𝐱,t)]ζΘ(tt) and GA(𝐱t𝐱t)=i[ψ(𝐱,t),ψ¯(𝐱,t)]ζΘ(tt), respectively.

They are related to the time-ordered Green function by GT(𝐤,ω)=[1+ζn(ω)]GR(𝐤,ω)ζn(ω)GA(𝐤,ω), where n(ω)=1eβωζ is the Bose–Einstein or Fermi–Dirac distribution function.

Imaginary-time ordering and β-periodicity

The thermal Green functions are defined only when both imaginary-time arguments are within the range 0 to β. The two-point Green function has the following properties. (The position or momentum arguments are suppressed in this section.)

Firstly, it depends only on the difference of the imaginary times: 𝒢(τ,τ)=𝒢(ττ). The argument ττ is allowed to run from β to β.

Secondly, 𝒢(τ) is (anti)periodic under shifts of β. Because of the small domain within which the function is defined, this means just 𝒢(τβ)=ζ𝒢(τ), for 0<τ<β. Time ordering is crucial for this property, which can be proved straightforwardly, using the cyclicity of the trace operation.

These two properties allow for the Fourier transform representation and its inverse, 𝒢(ωn)=0βdτ𝒢(τ)eiωnτ.

Finally, note that 𝒢(τ) has a discontinuity at τ=0; this is consistent with a long-distance behaviour of 𝒢(ωn)1/|ωn|.

Spectral representation

The propagators in real and imaginary time can both be related to the spectral density (or spectral weight), given by ρ(𝐤,ω)=1𝒵α,α2πδ(EαEαω)|αψ𝐤α|2(eβEαζeβEα), where |α refers to a (many-body) eigenstate of the grand-canonical Hamiltonian HμN, with eigenvalue Eα.

The imaginary-time propagator is then given by 𝒢(𝐤,ωn)=dω2πρ(𝐤,ω)iωn+ω, and the retarded propagator by GR(𝐤,ω)=dω2πρ(𝐤,ω)(ω+iη)+ω, where the limit as η0+ is implied.

The advanced propagator is given by the same expression, but with iη in the denominator.

The time-ordered function can be found in terms of GR and GA. As claimed above, GR(ω) and GA(ω) have simple analyticity properties: the former (latter) has all its poles and discontinuities in the lower (upper) half-plane.

The thermal propagator 𝒢(ωn) has all its poles and discontinuities on the imaginary ωn axis.

The spectral density can be found very straightforwardly from GR, using the Sokhatsky–Weierstrass theorem limη0+1x±iη=P1xiπδ(x), where P denotes the Cauchy principal part. This gives ρ(𝐤,ω)=2ImGR(𝐤,ω).

This furthermore implies that GR(𝐤,ω) obeys the following relationship between its real and imaginary parts: ReGR(𝐤,ω)=2Pdω2πImGR(𝐤,ω)ωω, where P denotes the principal value of the integral.

The spectral density obeys a sum rule, dω2πρ(𝐤,ω)=1, which gives GR(ω)1|ω| as |ω|.

Hilbert transform

The similarity of the spectral representations of the imaginary- and real-time Green functions allows us to define the function G(𝐤,z)=dx2πρ(𝐤,x)z+x, which is related to 𝒢 and GR by 𝒢(𝐤,ωn)=G(𝐤,iωn) and GR(𝐤,ω)=G(𝐤,ω+iη). A similar expression obviously holds for GA.

The relation between G(𝐤,z) and ρ(𝐤,x) is referred to as a Hilbert transform.

Proof of spectral representation

We demonstrate the proof of the spectral representation of the propagator in the case of the thermal Green function, defined as 𝒢(𝐱,τ𝐱,τ)=Tψ(𝐱,τ)ψ¯(𝐱,τ).

Due to translational symmetry, it is only necessary to consider 𝒢(𝐱,τ𝟎,0) for τ>0, given by 𝒢(𝐱,τ𝟎,0)=1𝒵αeβEααψ(𝐱,τ)ψ¯(𝟎,0)α. Inserting a complete set of eigenstates gives 𝒢(𝐱,τ𝟎,0)=1𝒵α,αeβEααψ(𝐱,τ)ααψ¯(𝟎,0)α.

Since |α and |α are eigenstates of HμN, the Heisenberg operators can be rewritten in terms of Schrödinger operators, giving 𝒢(𝐱,τ|𝟎,0)=1𝒵α,αeβEαeτ(EαEα)αψ(𝐱)ααψ(𝟎)α. Performing the Fourier transform then gives 𝒢(𝐤,ωn)=1𝒵α,αeβEα1ζeβ(EαEα)iωn+EαEα𝐤d𝐤αψ(𝐤)ααψ(𝐤)α.

Momentum conservation allows the final term to be written as (up to possible factors of the volume) |αψ(𝐤)α|2, which confirms the expressions for the Green functions in the spectral representation.

The sum rule can be proved by considering the expectation value of the commutator, 1=1𝒵ααeβ(HμN)[ψ𝐤,ψ𝐤]ζα, and then inserting a complete set of eigenstates into both terms of the commutator: 1=1𝒵α,αeβEα(αψ𝐤ααψ𝐤αζαψ𝐤ααψ𝐤α).

Swapping the labels in the first term then gives 1=1𝒵α,α(eβEαζeβEα)|αψ𝐤α|2, which is exactly the result of the integration of ρ.

Non-interacting case

In the non-interacting case, ψ𝐤α is an eigenstate with (grand-canonical) energy Eα+ξ𝐤, where ξ𝐤=ϵ𝐤μ is the single-particle dispersion relation measured with respect to the chemical potential. The spectral density therefore becomes ρ0(𝐤,ω)=1𝒵2πδ(ξ𝐤ω)ααψ𝐤ψ𝐤α(1ζeβξ𝐤)eβEα.

From the commutation relations, αψ𝐤ψ𝐤α=α(1+ζψ𝐤ψ𝐤)α, with possible factors of the volume again. The sum, which involves the thermal average of the number operator, then gives simply [1+ζn(ξ𝐤)]𝒵, leaving ρ0(𝐤,ω)=2πδ(ξ𝐤ω).

The imaginary-time propagator is thus 𝒢0(𝐤,ω)=1iωn+ξ𝐤 and the retarded propagator is G0R(𝐤,ω)=1(ω+iη)+ξ𝐤.

Zero-temperature limit

As β → ∞, the spectral density becomes ρ(𝐤,ω)=2πα[δ(EαE0ω)|αψ𝐤0|2ζδ(E0Eαω)|0ψ𝐤α|2] where α = 0 corresponds to the ground state. Note that only the first (second) term contributes when ω is positive (negative).

General case

Basic definitions

We can use 'field operators' as above, or creation and annihilation operators associated with other single-particle states, perhaps eigenstates of the (noninteracting) kinetic energy. We then use ψ(𝐱,τ)=φα(𝐱)ψα(τ), where ψα is the annihilation operator for the single-particle state α and φα(𝐱) is that state's wavefunction in the position basis. This gives 𝒢α1αn|β1βn(n)(τ1τn|τ1τn)=Tψα1(τ1)ψαn(τn)ψ¯βn(τn)ψ¯β1(τ1) with a similar expression for G(n).

Two-point functions

These depend only on the difference of their time arguments, so that 𝒢αβ(ττ)=1βωn𝒢αβ(ωn)eiωn(ττ) and Gαβ(tt)=dω2πGαβ(ω)eiω(tt).

We can again define retarded and advanced functions in the obvious way; these are related to the time-ordered function in the same way as above.

The same periodicity properties as described in above apply to 𝒢αβ. Specifically, 𝒢αβ(ττ)=𝒢αβ(ττ) and 𝒢αβ(τ)=𝒢αβ(τ+β), for τ<0.

Spectral representation

In this case, ραβ(ω)=1𝒵m,n2πδ(EnEmω)mψαnnψβm(eβEmζeβEn), where m and n are many-body states.

The expressions for the Green functions are modified in the obvious ways: 𝒢αβ(ωn)=dω2πραβ(ω)iωn+ω and GαβR(ω)=dω2πραβ(ω)(ω+iη)+ω.

Their analyticity properties are identical. The proof follows exactly the same steps, except that the two matrix elements are no longer complex conjugates.

Noninteracting case

If the particular single-particle states that are chosen are 'single-particle energy eigenstates', i.e. [HμN,ψα]=ξαψα, then for |n an eigenstate: (HμN)n=Enn, so is ψαn: (HμN)ψαn=(Enξα)ψαn, and so is ψαn: (HμN)ψαn=(En+ξα)ψαn.

We therefore have mψαnnψβm=δξα,ξβδEn,Em+ξαmψαnnψβm.

We then rewrite ραβ(ω)=1𝒵m,n2πδ(ξαω)δξα,ξβmψαnnψβmeβEm(1ζeβξα), therefore ραβ(ω)=1𝒵m2πδ(ξαω)δξα,ξβmψαψβeβ(HμN)m(1ζeβξα), use mψαψβm=δα,βmζψαψα+1m and the fact that the thermal average of the number operator gives the Bose–Einstein or Fermi–Dirac distribution function.

Finally, the spectral density simplifies to give ραβ=2πδ(ξαω)δαβ, so that the thermal Green function is 𝒢αβ(ωn)=δαβiωn+ξβ and the retarded Green function is Gαβ(ω)=δαβ(ω+iη)+ξβ. Note that the noninteracting Green function is diagonal, but this will not be true in the interacting case.

See also

References

Books

  • Bonch-Bruevich V. L., Tyablikov S. V. (1962): The Green Function Method in Statistical Mechanics. North Holland Publishing Co.
  • Abrikosov, A. A., Gorkov, L. P. and Dzyaloshinski, I. E. (1963): Methods of Quantum Field Theory in Statistical Physics Englewood Cliffs: Prentice-Hall.
  • Negele, J. W. and Orland, H. (1988): Quantum Many-Particle Systems AddisonWesley.
  • Zubarev D. N., Morozov V., Ropke G. (1996): Statistical Mechanics of Nonequilibrium Processes: Basic Concepts, Kinetic Theory (Vol. 1). John Wiley & Sons. ISBN:3-05-501708-0.
  • Mattuck Richard D. (1992), A Guide to Feynman Diagrams in the Many-Body Problem, Dover Publications, ISBN:0-486-67047-3.

Papers

  • Linear Response Functions in Eva Pavarini, Erik Koch, Dieter Vollhardt, and Alexander Lichtenstein (eds.): DMFT at 25: Infinite Dimensions, Verlag des Forschungszentrum Jülich, 2014 ISBN:978-3-89336-953-9