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Linear response predicts the first change in a detector observable caused by a weak source. The formulas are compact only after the source sign, coupled operator, detector, reference state, Fourier transform, contact terms, and limiting protocol have been fixed.

This sheet uses one convention throughout:

Hpert(t)=−f(t)B,χABR(t)=iℏθ(t)×⟨[A(t),B(0)]⟩0.\begin{aligned} H_{\mathrm{pert}}(t) &= -f(t)B, \\ \chi_{AB}^{\mathrm R}(t) &= \frac{i}{\hbar} \theta(t) \times \langle[A(t),B(0)]\rangle_0. \end{aligned}

With the transform e+iωte^{+i\omega t}, a passive Hermitian autochannel has

Im⁡χAAR(ω)≥0(ω>0).\operatorname{Im} \chi_{AA}^{\mathrm R}(\omega) \geq 0 \qquad (\omega>0).

Changing the source sign or retarded-kernel sign changes intermediate formulas. It must not change measurable absorbed power after all definitions are transformed consistently.

Required background. Correlation function definitions fix the ordering and spectrum conventions; the Kubo formula derives the source response.

The ordered label χAB\chi_{AB} means the response of AA to a source coupled through BB. The measured operator may also depend explicitly on that source, producing a contact term. Equilibrated thermodynamic derivatives and isolated dynamical responses are distinct protocols.

Let a multicomponent source couple as

Hpert(t)=−∑b∫ddr fb(r,t)Bb(r).H_{\mathrm{pert}}(t) = -\sum_b \int d^d r\, f_b(\mathbf r,t) B_b(\mathbf r).

For a detector Aa(r,t)A_a(\mathbf r,t) with no explicit source dependence,

δ⟨Aa(r,t)⟩=∑b∫−∞∞dt′∫ddr′×χabR(r,t;r′,t′)×fb(r′,t′)+O(f2),\delta\langle A_a(\mathbf r,t) \rangle ={} \sum_b \int_{-\infty}^{\infty} dt' \int d^d r' \times \chi_{ab}^{\mathrm R} (\mathbf r,t;\mathbf r',t') \times f_b(\mathbf r',t') + O(f^2),

where

χabR(r,t;r′,t′)=iℏθ(t−t′)×⟨[Aa(r,t),Bb(r′,t′)]⟩0.\chi_{ab}^{\mathrm R} (\mathbf r,t;\mathbf r',t') ={} \frac{i}{\hbar} \theta(t-t') \times \bigl\langle \bigl[ A_a(\mathbf r,t), B_b(\mathbf r',t') \bigr] \bigr\rangle_0.

The operators evolve with the unperturbed generator. The expectation value is evaluated in the unperturbed state.

The operational definition is

χabR=δ⟨Aa⟩fδfb∣f=0\chi_{ab}^{\mathrm R} = \left. \frac{ \delta\langle A_a\rangle_f }{ \delta f_b } \right|_{f=0}

when AaA_a has no explicit dependence on fbf_b. Consequently,

[χab(r,t;r′,t′)]=[Aa][fb] time lengthd.[\chi_{ab}(\mathbf r,t;\mathbf r',t')] =\frac{[A_a]}{[f_b]\,\mathrm{time}\,\mathrm{length}^{d}}.

The Fourier-transformed susceptibility has units [Aa]/[fb][A_a]/[f_b] because the time and space integrals have been performed.

In the interaction picture,

δρI(t)=iℏ∫t0tdt′ f(t′)[BI(t′),ρ0].\delta\rho_I(t) = \frac{i}{\hbar} \int_{t_0}^{t} dt'\, f(t') [B_I(t'),\rho_0].

Cyclicity of the trace gives

δ⟨A(t)⟩=iℏ∫t0tdt′ f(t′)×⟨[AI(t),BI(t′)]⟩0.\delta\langle A(t)\rangle = \frac{i}{\hbar} \int_{t_0}^{t} dt'\, f(t') \times \langle[A_I(t),B_I(t')]\rangle_0.

This is the quickest way to recover the response sign from Hpert=−fBH_{\mathrm{pert}}=-fB instead of relying on memory.

Explicit Source Dependence and Contact Terms

Section titled “Explicit Source Dependence and Contact Terms”

If the measured operator depends on the source, the commutator is not the full functional derivative. Write

Aa[f]=Aa(0)+∑bCabfb+O(f2).A_a[f] = A_a^{(0)} + \sum_b \mathcal C_{ab}f_b + O(f^2).

For a local instantaneous dependence,

KabR(r,t;r′,t′)=χAa(0)BbR(r,t;r′,t′)+⟨Cab⟩0δ(d)(r−r′)×δ(t−t′).K_{ab}^{\mathrm R} (\mathbf r,t;\mathbf r',t') ={} \chi_{A_a^{(0)}B_b}^{\mathrm R} (\mathbf r,t;\mathbf r',t') + \langle\mathcal C_{ab}\rangle_0 \delta^{(d)}(\mathbf r-\mathbf r') {}\times \delta(t-t').

The full response is

δ⟨Aa⟩=∑bKabR∗fb.\delta\langle A_a\rangle = \sum_b K_{ab}^{\mathrm R} *f_b.

Depending on context, C\mathcal C is called a contact, diamagnetic, stress, or seagull term. Derive it from the source-dependent Hamiltonian or observable. Omitting it can violate gauge invariance, continuity constraints, and sum rules.

If

[H0,ρ0]=0,[H_0,\rho_0] = 0,

then

χR(t,t′)=χR(t−t′).\chi^{\mathrm R}(t,t') = \chi^{\mathrm R}(t-t').

For a translation-invariant state and geometry,

χR(r,t;r′,t′)=χR(r−r′,t−t′).\chi^{\mathrm R} (\mathbf r,t;\mathbf r',t') = \chi^{\mathrm R} (\mathbf r-\mathbf r',t-t').

This sheet uses

X(q,ω)=∫−∞∞dt∫ddr eiωt−iq⋅r×X(r,t),X(r,t)=∫dω2π∫ddq(2π)d×e−iωt+iq⋅rX(q,ω).\begin{aligned} X(\mathbf q,\omega) &={} \int_{-\infty}^{\infty} dt \int d^d r\, e^{i\omega t-i\mathbf q\cdot\mathbf r} \times X(\mathbf r,t), \\ X(\mathbf r,t) &={} \int\frac{d\omega}{2\pi} \int\frac{d^d q}{(2\pi)^d} \times e^{-i\omega t+i\mathbf q\cdot\mathbf r} X(\mathbf q,\omega). \end{aligned}

The convolution becomes

δ⟨Aa(q,ω)⟩=∑bKabR(q,ω)fb(q,ω).\delta\langle A_a(\mathbf q,\omega) \rangle = \sum_b K_{ab}^{\mathrm R} (\mathbf q,\omega) f_b(\mathbf q,\omega).

For

f(t)=Re⁡[f0e−iωt],f(t) = \operatorname{Re} \left[ f_0e^{-i\omega t} \right],

the steady first-order response is

δ⟨A(t)⟩=Re⁡[χABR(ω)f0e−iωt].\delta\langle A(t)\rangle = \operatorname{Re} \left[ \chi_{AB}^{\mathrm R}(\omega) f_0e^{-i\omega t} \right].

Under this transform:

  • retarded kernels are analytic for Im⁡z>0\operatorname{Im}z>0;
  • undamped finite-system poles lie on the real boundary with the retarded −i0-i0 displacement; damped stable poles lie below it;
  • the retarded Lehmann denominator carries +i0+i0;
  • E=ℏωE=\hbar\omega converts angular frequency to energy.

For

H0∣n⟩=En∣n⟩,ρ0=∑npn∣n⟩⟨n∣,H_0\lvert n\rangle = E_n\lvert n\rangle, \qquad \rho_0 = \sum_n p_n\lvert n\rangle\langle n\rvert,

define

Anm=⟨n∣A∣m⟩,Bmn=⟨m∣B∣n⟩.A_{nm} = \langle n\lvert A\rvert m\rangle, \qquad B_{mn} = \langle m\lvert B\rvert n\rangle.

Then

χABR(ω)=∑n,m(pm−pn)AnmBmnℏω+En−Em+i0.\chi_{AB}^{\mathrm R}(\omega) = \sum_{n,m} \frac{ (p_m-p_n) A_{nm}B_{mn} }{ \hbar\omega + E_n-E_m + i0 }.

The four ingredients are transition energies, detector matrix elements, source matrix elements, and population differences. A state can exist in the spectrum yet remain absent from a chosen response because either operator matrix element vanishes.

For numerical work, replace i0i0 by a finite width only after declaring whether it represents instrumental resolution, physical damping, a finite observation window, or visualization. A broadening parameter is not generated by the exact finite-system formula.

Define

ρAB(ω)≡12πℏ∫−∞∞dt eiωt×⟨[A(t),B(0)]⟩0.\rho_{AB}(\omega) \equiv{} \frac{1}{2\pi\hbar} \int_{-\infty}^{\infty} dt\, e^{i\omega t} \times \langle[A(t),B(0)]\rangle_0.

For Im⁡z≠0\operatorname{Im}z\ne0 and adequate high-frequency behavior,

χAB(z)=∫−∞∞dω′ ρAB(ω′)ω′−z.\chi_{AB}(z) = \int_{-\infty}^{\infty} d\omega'\, \frac{ \rho_{AB}(\omega') }{ \omega'-z }.

The retarded boundary value is

χABR(ω)=PV⁡∫−∞∞dω′ ρAB(ω′)ω′−ω+iπρAB(ω).\chi_{AB}^{\mathrm R}(\omega) ={} \operatorname{PV} \int_{-\infty}^{\infty} d\omega'\, \frac{ \rho_{AB}(\omega') }{ \omega'-\omega } + i\pi\rho_{AB}(\omega).

Therefore define the general discontinuity

χAB′′(ω)=χABR(ω)−χABA(ω)2i=πρAB(ω).\chi''_{AB}(\omega)=\frac{\chi^{\mathrm R}_{AB}(\omega)-\chi^{\mathrm A}_{AB}(\omega)}{2i} =\pi\rho_{AB}(\omega).

For a matrix of Hermitian channels, χA=χR†\chi^{\mathrm A}=\chi^{\mathrm R\dagger}. Only a diagonal Hermitian channel reduces this automatically to Im⁡χAAR\operatorname{Im}\chi^{\mathrm R}_{AA}; a complex cross-channel spectrum need not equal the elementwise imaginary part.

For a Hermitian autochannel in a stationary passive equilibrium state,

ρAA(−ω)=−ρAA(ω),Re⁡χAAR(−ω)=Re⁡χAAR(ω),Im⁡χAAR(−ω)=−Im⁡χAAR(ω),\begin{aligned} \rho_{AA}(-\omega) &= -\rho_{AA}(\omega), \\ \operatorname{Re} \chi_{AA}^{\mathrm R}(-\omega) &= \operatorname{Re} \chi_{AA}^{\mathrm R}(\omega), \\ \operatorname{Im} \chi_{AA}^{\mathrm R}(-\omega) &= -\operatorname{Im} \chi_{AA}^{\mathrm R}(\omega), \end{aligned}

and

Im⁡χAAR(ω)≥0(ω>0).\operatorname{Im} \chi_{AA}^{\mathrm R}(\omega) \geq 0 \qquad (\omega>0).

These parity and positivity statements do not apply component by component to a generic cross-susceptibility.

For a Hermitian source channel driven harmonically,

P‾=ω2∣f0∣2Im⁡χBBR(ω).\overline P = \frac{\omega}{2} \lvert f_0\rvert^2 \operatorname{Im} \chi_{BB}^{\mathrm R}(\omega).

Thus the imaginary part is absorptive under the conventions of this sheet. The real part is reactive.

For several source components, define the dissipative matrix

χ′′≡χR−χR†2i.\boldsymbol{\chi}'' \equiv \frac{ \boldsymbol{\chi}^{\mathrm R} - \boldsymbol{\chi}^{\mathrm R\dagger} }{ 2i }.

Then

P‾=ω2f0†χ′′f0.\overline P = \frac{\omega}{2} \mathbf f_0^\dagger \boldsymbol{\chi}'' \mathbf f_0.

Passivity requires χ′′\boldsymbol{\chi}'' to be positive semidefinite for ω>0\omega>0. An individual off-diagonal entry can have either sign.

Causal support,

χABR(t)=0(t<0),\chi_{AB}^{\mathrm R}(t) = 0 \qquad (t<0),

implies upper-half-plane analyticity. When no subtraction is needed,

Re⁡χABR(ω)=1πPV⁡×∫−∞∞dω′ Im⁡χABR(ω′)ω′−ω,\operatorname{Re} \chi_{AB}^{\mathrm R}(\omega) = \frac1\pi \operatorname{PV} \times \int_{-\infty}^{\infty} d\omega'\, \frac{ \operatorname{Im} \chi_{AB}^{\mathrm R}(\omega') }{ \omega'-\omega },

and

Im⁡χABR(ω)=−1πPV⁡×∫−∞∞dω′ Re⁡χABR(ω′)ω′−ω.\operatorname{Im} \chi_{AB}^{\mathrm R}(\omega) = -\frac1\pi \operatorname{PV} \times \int_{-\infty}^{\infty} d\omega'\, \frac{ \operatorname{Re} \chi_{AB}^{\mathrm R}(\omega') }{ \omega'-\omega }.

Slow high-frequency decay requires subtracted dispersion relations. A finite experimental frequency window does not generally support an accurate direct Hilbert transform without tail modeling.

The advanced kernel is

χABA(t)=−iℏθ(−t)⟨[A(t),B(0)]⟩0.\chi_{AB}^{\mathrm A}(t) = -\frac{i}{\hbar} \theta(-t) \langle[A(t),B(0)]\rangle_0.

For a channel matrix on the real axis,

χA(ω)=χR†(ω).\boldsymbol{\chi}^{\mathrm A}(\omega) = \boldsymbol{\chi}^{\mathrm R\dagger}(\omega).

Equilibrium Fluctuation–Dissipation Dictionary

Section titled “Equilibrium Fluctuation–Dissipation Dictionary”

Let

δA=A−⟨A⟩β,δB=B−⟨B⟩β.\delta A = A-\langle A\rangle_\beta, \qquad \delta B = B-\langle B\rangle_\beta.

Using angular-frequency spectra without a 2π2\pi prefactor, define

SAB>(ω)≡∫−∞∞dt eiωt⟨δA(t)δB(0)⟩β,SAB<(ω)≡∫−∞∞dt eiωt⟨δB(0)δA(t)⟩β.\begin{aligned} S_{AB}^{>}(\omega) &\equiv \int_{-\infty}^{\infty} dt\, e^{i\omega t} \langle\delta A(t)\delta B(0)\rangle_\beta, \\ S_{AB}^{<}(\omega) &\equiv \int_{-\infty}^{\infty} dt\, e^{i\omega t} \langle\delta B(0)\delta A(t)\rangle_\beta. \end{aligned}

For one equilibrium thermal generator and a compatible operator pair,

SAB<(ω)=e−βℏωSAB>(ω).S_{AB}^{<}(\omega) = e^{-\beta\hbar\omega} S_{AB}^{>}(\omega).

The absorptive response is

χAB′′(ω)=SAB>(ω)−SAB<(ω)2ℏ.\chi''_{AB}(\omega) = \frac{ S_{AB}^{>}(\omega) - S_{AB}^{<}(\omega) }{ 2\hbar }.

Equivalently,

SAB>(ω)=2ℏ1−e−βℏωχAB′′(ω).S_{AB}^{>}(\omega) = \frac{ 2\hbar }{ 1-e^{-\beta\hbar\omega} } \chi''_{AB}(\omega).

For a Hermitian autochannel,

SAAsym(ω)≡12∫−∞∞dt eiωt×⟨{δA(t),δA(0)}⟩β.S_{AA}^{\mathrm{sym}}(\omega) \equiv \frac12 \int_{-\infty}^{\infty} dt\, e^{i\omega t} \times \bigl\langle \bigl\{ \delta A(t), \delta A(0) \bigr\} \bigr\rangle_\beta.

For nonzero-frequency spectral weight, the fluctuation–dissipation theorem is

SAAsym(ω)=ℏcoth⁡(βℏω2)Im⁡χAAR(ω).S_{AA}^{\mathrm{sym}}(\omega) = \hbar \coth\left( \frac{\beta\hbar\omega}{2} \right) \operatorname{Im} \chi_{AA}^{\mathrm R}(\omega).

In the classical low-frequency regime,

βℏ∣ω∣≪1,\beta\hbar\lvert\omega\rvert \ll 1,

this becomes

SAAsym(ω)≃2kBTωIm⁡χAAR(ω).S_{AA}^{\mathrm{sym}}(\omega) \simeq \frac{ 2k_{\mathrm B}T }{ \omega } \operatorname{Im} \chi_{AA}^{\mathrm R}(\omega).

An exactly static connected component C0C_0 contributes 2πC0δ(ω)2\pi C_0\delta(\omega) to the fluctuation spectrum but no commutator response. Add that component separately: the singular thermal multiplier cannot reconstruct it from zero. The theorem requires thermal equilibrium, not merely stationarity. For a grand-canonical ensemble, number-changing operators must use a consistent generator so that the detailed-balance exponent includes chemical work correctly.

For

Hf=H0−fB,H_f = H_0-fB,

the isothermal self-susceptibility is

χTBB≡∂⟨B⟩f∂f∣f=0.\chi_T^{BB} \equiv \left. \frac{ \partial\langle B\rangle_f }{ \partial f } \right|_{f=0}.

In the canonical ensemble, for a Hermitian BB preserving any sector fixed by the ensemble,

χTBB=∫0βdλ ⟨δB(−iℏλ)δB(0)⟩β,\chi_T^{BB} = \int_0^\beta d\lambda\, \left\langle \delta B(-i\hbar\lambda) \delta B(0) \right\rangle_\beta,

where

B(−iℏλ)=eλH0Be−λH0.B(-i\hbar\lambda) = e^{\lambda H_0} B e^{-\lambda H_0}.

Equivalently,

χTBB=1ℏ∫0βℏdτ ⟨δB(τ)δB(0)⟩β.\chi_T^{BB} = \frac1\hbar \int_0^{\beta\hbar} d\tau\, \langle\delta B(\tau)\delta B(0)\rangle_\beta.

If

[B,H0]=0,[B,H_0] = 0,

then

χTBB=β(⟨B2⟩β−⟨B⟩β2).\chi_T^{BB} = \beta \left( \langle B^2\rangle_\beta - \langle B\rangle_\beta^2 \right).

For a nondegenerate zero-temperature ground state,

χT=0BB=2∑n>0∣⟨n∣B∣0⟩∣2En−E0.\chi_{T=0}^{BB} = 2 \sum_{n>0} \frac{ \lvert\langle n\lvert B\rvert0\rangle\rvert^2 }{ E_n-E_0 }.

The thermodynamic derivative need not equal the zero-frequency isolated retarded response. In particular, if BB is conserved,

χBBR(t)=0,\chi_{BB}^{\mathrm R}(t) = 0,

while χTBB\chi_T^{BB} can remain nonzero because equilibration changes statistical weights among sectors.

For a spatial response, distinguish

χstatic=lim⁡q→0lim⁡ω→0χ(q,ω)\chi_{\mathrm{static}} = \lim_{\mathbf q\to0} \lim_{\omega\to0} \chi(\mathbf q,\omega)

from

χuniform=lim⁡ω→0lim⁡q→0χ(q,ω).\chi_{\mathrm{uniform}} = \lim_{\omega\to0} \lim_{\mathbf q\to0} \chi(\mathbf q,\omega).

Hydrodynamic poles and conservation laws can make these limits unequal. Transport may additionally require an explicit order for

L→∞,η→0+,q→0,ω→0.\begin{aligned} L&\to\infty, & \eta&\to0^+, \\ \mathbf q&\to0, & \omega&\to0. \end{aligned}

A finite isolated spectrum usually gives delta functions, recurrences, or a vanishing uniform commutator response rather than a bulk dc coefficient.

Physical source Coupled operator Typical detector Essential convention
force FF position xx position or velocity Hpert=−FxH_{\mathrm{pert}}=-Fx
spin field hβh^\beta in energy units spin SβS^\beta spin SαS^\alpha add gμBg\mu_{\mathrm B} when converting to magnetic-field units
local chemical potential δμ\delta\mu number density nn density nn distinguish ∂n/∂μ\partial n/\partial\mu from n−2∂n/∂μn^{-2}\partial n/\partial\mu
vector potential A\mathbf A paramagnetic current Jp\mathbf J^p physical current j[A]\mathbf j[\mathbf A] include the diamagnetic or stress term
pairing source η\eta pair operator and its adjoint pair amplitude declare charge, phase, and Nambu normalization
strain or metric source stress tensor stress tensor include instantaneous elastic terms

The source should be defined by its Hamiltonian coupling, not only by a verbal label.

For a spin source in energy units and dimensionless spin operators SjβS_j^\beta,

Hpert(t)=−∑j,βhjβ(t)Sjβ,H_{\mathrm{pert}}(t) = -\sum_{j,\beta} h_j^\beta(t) S_j^\beta,

the response is

δ⟨Siα(ω)⟩=∑j,βχSiαSjβR(ω)hjβ(ω).\delta\langle S_i^\alpha(\omega) \rangle = \sum_{j,\beta} \chi_{S_i^\alpha S_j^\beta}^{\mathrm R}(\omega) h_j^\beta(\omega).

Magnetic susceptibility quoted per tesla acquires the appropriate powers of gμBg\mu_{\mathrm B} and any volume or molar normalization.

For a local chemical-potential source,

Hpert(t)=−∫ddr δμ(r,t)n(r),H_{\mathrm{pert}}(t) = -\int d^d r\, \delta\mu(\mathbf r,t) n(\mathbf r),

one has

δn(q,ω)=χnnR(q,ω)δμ(q,ω).\delta n(\mathbf q,\omega) = \chi_{nn}^{\mathrm R}(\mathbf q,\omega) \delta\mu(\mathbf q,\omega).

Two common compressibilities are

κn=(∂n∂μ)T,κT=1n2(∂n∂μ)T.\kappa_n = \left( \frac{\partial n}{\partial\mu} \right)_T, \qquad \kappa_T = \frac1{n^2} \left( \frac{\partial n}{\partial\mu} \right)_T.

At exactly q=0\mathbf q=0, a conserved total number has no finite-frequency isolated self-response. The thermodynamic compressibility is obtained from the static equilibrated protocol.

For continuum particles of signed charge QQ in a uniform vector potential,

H[A]=∑i(pi−QA)22m+V.H[\mathbf A] = \sum_i \frac{ (\mathbf p_i-Q\mathbf A)^2 }{ 2m } + V.

Expanding gives

H[A]=H0−A⋅Jp+NQ22mA2.H[\mathbf A] = H_0 - \mathbf A\cdot\mathbf J^p + \frac{NQ^2}{2m} \mathbf A^2.

The physical current density is

j[A]=−1V∂H∂A=jp−nQ2mA.\mathbf j[\mathbf A] = -\frac1V \frac{\partial H}{\partial\mathbf A} = \mathbf j^p - \frac{nQ^2}{m} \mathbf A.

Define

ΠαβR(ω)≡1VχJαpJβpR(ω),Dαβ≡nQ2mδαβ.\begin{aligned} \Pi_{\alpha\beta}^{\mathrm R}(\omega) &\equiv \frac1V \chi_{J_\alpha^pJ_\beta^p}^{\mathrm R}(\omega), \\ D_{\alpha\beta} &\equiv \frac{nQ^2}{m} \delta_{\alpha\beta}. \end{aligned}

Since

E(ω)=iωA(ω),\mathbf E(\omega) = i\omega\mathbf A(\omega),

the optical conductivity is

σαβ(ω)=iω+i0[Dαβ−ΠαβR(ω)].\sigma_{\alpha\beta}(\omega) = \frac{i}{\omega+i0} \left[ D_{\alpha\beta} - \Pi_{\alpha\beta}^{\mathrm R}(\omega) \right].

On a lattice, DαβD_{\alpha\beta} is the appropriate kinetic or stress expectation obtained by differentiating the gauged Hamiltonian. It is not generally nQ2/mnQ^2/m.

A standard decomposition is

Re⁡σ(ω)=πDDrδ(ω)+σreg(ω).\operatorname{Re} \sigma(\omega) = \pi D_{\mathrm{Dr}} \delta(\omega) + \sigma_{\mathrm{reg}}(\omega).

The Drude weight DDrD_{\mathrm{Dr}} is the surviving zero-frequency weight after paramagnetic and diamagnetic contributions are combined. It is not the bare tensor DαβD_{\alpha\beta}.

For one conserved density in a diffusive regime,

χnnR(q,ω)=χDq2Dq2−iω,χ=(∂n∂μ)T.\begin{aligned} \chi_{nn}^{\mathrm R}(\mathbf q,\omega) &= \chi \frac{ Dq^2 }{ Dq^2-i\omega }, \\ \chi &= \left( \frac{\partial n}{\partial\mu} \right)_T. \end{aligned}

The pole is

ω=−iDq2.\omega = -iDq^2.

It reproduces the noncommuting limits

lim⁡q→0lim⁡ω→0χnnR=χ,lim⁡ω→0lim⁡q→0χnnR=0.\begin{aligned} \lim_{\mathbf q\to0} \lim_{\omega\to0} \chi_{nn}^{\mathrm R} &= \chi, \\ \lim_{\omega\to0} \lim_{\mathbf q\to0} \chi_{nn}^{\mathrm R} &= 0. \end{aligned}

For carriers of signed charge QQ, consistent number-current normalization gives the Einstein relation

σ=Q2χD.\sigma = Q^2\chi D.

These formulas require a genuine diffusive window, local equilibrium, and the same conserved density in χ\chi, DD, and σ\sigma.

Adjoint relations follow from definitions. Onsager–Casimir reciprocity requires equilibrium microscopic reversibility and correctly transformed time-reversal-odd controls.

If AA and BB have time-reversal parities ϵA\epsilon_A and ϵB\epsilon_B, a common convention gives

χABR(ω;B)=ϵAϵBχBAR(ω;−B).\chi_{AB}^{\mathrm R} (\omega;\mathcal B) = \epsilon_A\epsilon_B \chi_{BA}^{\mathrm R} (\omega;-\mathcal B).

Momentum, current, pseudovector, and complex-basis indices can add component transformations. Reversing operator labels while leaving a magnetic field or rotation unchanged is not a reciprocity test.

For an equilibrium bosonic observable channel, a Matsubara calculation samples an analytic response function at

νn=2πnβ,n∈Z.\nu_n = \frac{2\pi n}{\beta}, \qquad n\in\mathbb Z.

The retarded response is the upper real-axis boundary of the same analytic function after all overall signs, factors of ℏ\hbar, static zero-mode terms, and contact terms have been matched.

Symbolic replacement

iνn⟶ℏω+i0i\nu_n \longrightarrow \hbar\omega+i0

is meaningful only after that analytic function has been identified. Recovering a real-frequency spectrum from finitely many noisy Matsubara values is an ill-posed inverse problem, not a direct substitution.

Thermal Green Functions defines imaginary-time ordering. Spectral Representation explains the continuation bridge and static bosonic terms. Analytic Continuation explains numerical reconstruction.

Let

H0=p22m+12mΩ2x2,Hpert(t)=−F(t)x.\begin{aligned} H_0 &= \frac{p^2}{2m} + \frac12m\Omega^2x^2, \\ H_{\mathrm{pert}}(t) &= -F(t)x. \end{aligned}

Since

[x(t),x(0)]=−iℏmΩsin⁡(Ωt),[x(t),x(0)] = -\frac{i\hbar}{m\Omega} \sin(\Omega t),

the retarded response is

χxxR(t)=θ(t)sin⁡(Ωt)mΩ.\chi_{xx}^{\mathrm R}(t) = \theta(t) \frac{ \sin(\Omega t) }{ m\Omega }.

Its frequency-domain form is

χxxR(ω)=1m1Ω2−(ω+i0)2.\chi_{xx}^{\mathrm R}(\omega) = \frac1m \frac1{ \Omega^2-(\omega+i0)^2 }.

The static response is

χxxR(0)=1mΩ2,\chi_{xx}^{\mathrm R}(0) = \frac1{m\Omega^2},

and the positive-frequency absorptive line is

Im⁡χxxR(ω)=π2mΩδ(ω−Ω).\operatorname{Im} \chi_{xx}^{\mathrm R}(\omega) = \frac{\pi}{2m\Omega} \delta(\omega-\Omega).

This benchmark checks the source sign, pole side, static spring compliance, spectral weight, and positive absorption simultaneously.

Take

H0=ℏΩ2σz,Hpert(t)=−f(t)σx.H_0 = \frac{\hbar\Omega}{2} \sigma_z, \qquad H_{\mathrm{pert}}(t) = -f(t)\sigma_x.

At inverse temperature β\beta, define the population difference

Δp=tanh⁡(βℏΩ2).\Delta p = \tanh\left( \frac{\beta\hbar\Omega}{2} \right).

The transverse response is

χxxR(ω)=Δpℏ[1ω+Ω+i0−1ω−Ω+i0]=2ΩΔpℏ1Ω2−(ω+i0)2.\begin{aligned} \chi_{xx}^{\mathrm R}(\omega) ={}& \frac{\Delta p}{\hbar} \biggl[ \frac1{\omega+\Omega+i0} - \frac1{\omega-\Omega+i0} \biggr] \\ ={}& \frac{2\Omega\Delta p}{\hbar} \frac1{ \Omega^2-(\omega+i0)^2 }. \end{aligned}

Thus

χxxR(0)=2ΔpℏΩ,\chi_{xx}^{\mathrm R}(0) = \frac{ 2\Delta p }{ \hbar\Omega },

and, for ω>0\omega>0,

Im⁡χxxR(ω)=πΔpℏδ(ω−Ω).\operatorname{Im} \chi_{xx}^{\mathrm R}(\omega) = \frac{\pi\Delta p}{\hbar} \delta(\omega-\Omega).

Positive temperature gives Δp>0\Delta p>0 and absorption. Population inversion gives Δp<0\Delta p<0 and gain.

Route Direct output Main caution
exact diagonalization discrete Lehmann weights finite spectra require declared broadening and limit order
real-time evolution causal kernel or ordinary correlator finite time causes windowing and frequency convolution
equilibrium fluctuations ordered or symmetrized spectra fluctuation–dissipation conversion requires thermal equilibrium
Matsubara calculation imaginary-axis samples continuation is ill posed with finite noisy data
perturbation theory approximate analytic kernel preserve causality, symmetries, and contact terms consistently
experiment convolved detector response de-embed source calibration, resolution, backgrounds, and units

Exercise 1: Oscillator static and absorptive checks

Section titled “Exercise 1: Oscillator static and absorptive checks”

For the oscillator benchmark, verify the static limit and the sign of the positive-frequency spectral line.

Solution

Setting ω=0\omega=0 in

χxxR(ω)=1m1Ω2−(ω+i0)2\chi_{xx}^{\mathrm R}(\omega) = \frac1m \frac1{ \Omega^2-(\omega+i0)^2 }

gives

χxxR(0)=1mΩ2.\chi_{xx}^{\mathrm R}(0) = \frac1{m\Omega^2}.

This is the classical displacement per applied static force. Using

1x+i0=PV⁡1x−iπδ(x),\frac1{x+i0} = \operatorname{PV}\frac1x - i\pi\delta(x),

the pole at ω=Ω\omega=\Omega contributes

Im⁡χxxR(ω)=π2mΩδ(ω−Ω)\operatorname{Im} \chi_{xx}^{\mathrm R}(\omega) = \frac{\pi}{2m\Omega} \delta(\omega-\Omega)

for positive frequency. Its coefficient is positive, as passivity requires.

Suppose [B,H0]=0[B,H_0]=0. Show why the isolated retarded self-response vanishes while the equilibrium isothermal susceptibility can be nonzero.

Solution

Conservation gives

B(t)=B,B(t) = B,

so

χBBR(t)=iℏθ(t)⟨[B,B]⟩0=0.\chi_{BB}^{\mathrm R}(t) = \frac{i}{\hbar} \theta(t) \langle[B,B]\rangle_0 = 0.

In a canonical equilibrium family with Hf=H0−fBH_f=H_0-fB,

χTBB=β(⟨B2⟩−⟨B⟩2),\chi_T^{BB} = \beta \left( \langle B^2\rangle - \langle B\rangle^2 \right),

which is nonzero whenever different conserved sectors have fluctuating thermal weights. The retarded protocol evolves one isolated state; the thermodynamic protocol compares re-equilibrated states.

Evaluate both iterated limits of

χnnR(q,ω)=χDq2Dq2−iω.\chi_{nn}^{\mathrm R}(\mathbf q,\omega) = \chi \frac{ Dq^2 }{ Dq^2-i\omega }.
Solution

At fixed nonzero q\mathbf q,

lim⁡ω→0χnnR(q,ω)=χ.\lim_{\omega\to0} \chi_{nn}^{\mathrm R}(\mathbf q,\omega) = \chi.

Taking q→0\mathbf q\to0 afterward leaves χ\chi. At fixed nonzero ω\omega,

lim⁡q→0χnnR(q,ω)=0.\lim_{\mathbf q\to0} \chi_{nn}^{\mathrm R}(\mathbf q,\omega) = 0.

Taking ω→0\omega\to0 afterward leaves zero. The pole at ω=−iDq2\omega=-iDq^2 makes the origin path dependent and encodes conservation of the uniform mode.

For

H[A]=∑i(pi−QA)22m+V,H[\mathbf A] = \sum_i \frac{ (\mathbf p_i-Q\mathbf A)^2 }{ 2m } + V,

derive the source-dependent physical current and identify the contact term.

Solution

Expanding the kinetic energy gives

H[A]=H0−A⋅Jp+NQ22mA2.H[\mathbf A] = H_0 - \mathbf A\cdot\mathbf J^p + \frac{NQ^2}{2m} \mathbf A^2.

The physical current density follows from differentiating the Hamiltonian:

j[A]=−1V∂H∂A=jp−nQ2mA.\begin{aligned} \mathbf j[\mathbf A] &= -\frac1V \frac{\partial H}{\partial\mathbf A} \\ &= \mathbf j^p - \frac{nQ^2}{m} \mathbf A. \end{aligned}

The second term is instantaneous and therefore contributes

−nQ2mδαβδ(t−t′)-\frac{nQ^2}{m} \delta_{\alpha\beta} \delta(t-t')

to the current response to A\mathbf A. Combining it with the paramagnetic current commutator yields the gauge-consistent conductivity kernel.