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Susceptibilities

A susceptibility states how strongly a chosen detector responds to a chosen weak source. The word does not identify one universal formula. Magnetic, density, compressibility, and pairing susceptibilities differ in their operators, source units, normalizations, symmetry channels, and experimental protocols.

The safest definition is operational. If

Hpert(t)=−f(t)B,H_{\mathrm{pert}}(t) = -f(t)B,

then the susceptibility of detector AA to source ff is

χAB=δ⟨A⟩fδf∣f=0.\chi_{AB} = \left. \frac{ \delta\langle A\rangle_f }{ \delta f } \right|_{f=0}.

In real-time linear response, this derivative is represented by a retarded commutator plus any explicit source derivative of the detector. In equilibrium statics, it can instead be a derivative of a thermodynamic potential. Those representations agree only when their ensembles, boundary conditions, and orders of limits describe the same protocol.

This page is the canonical home for translating abstract response functions into named many-body susceptibilities. It owns:

  • the source–detector–units dictionary;
  • extensive, intensive, local, and uniform normalizations;
  • scalar, tensor, matrix, longitudinal, and transverse channels;
  • static, dynamic, isothermal, isolated, and finite-wavevector distinctions;
  • magnetic susceptibility and its Curie and Pauli benchmarks;
  • density response and the sign difference between chemical-potential and potential-energy conventions;
  • density susceptibility versus thermodynamic compressibility;
  • local versus global compressibility;
  • pairing susceptibility and its complex source;
  • cross-susceptibilities, eigenchannels, and instability diagnostics;
  • practical measurement and numerical-validation checklists.

Neighboring pages retain separate ownership:

  • Order Parameters owns the macroscopic variables and their symmetry content; this page owns response to their conjugate sources.
  • Kubo Formula owns the source-coupled derivation, contact terms, conductivity, and order-of-limits machinery.
  • Retarded and Advanced Response owns causal support, adjoint identities, analyticity, spectral discontinuities, and dispersion relations.
  • Fluctuations and Susceptibilities owns equilibrium Hessians, fluctuation identities, Kubo–Mori covariance, and critical fluctuation scaling.
  • Structure Factors owns scattering spectra and their normalization.
  • Spectral Functions owns cross-channel peak, continuum, linewidth, spectral-weight, and measured-intensity interpretation.
  • Fluctuation–Dissipation Theorem owns the equilibrium relation between each absorptive susceptibility channel and its ordered or symmetrized fluctuations.
  • Sum Rules owns exact response moments, inverse moments, and high-energy asymptotics.
  • Random Phase Approximation owns the independent-particle polarization, screened density response, and collective dielectric poles.
  • Collective Modes owns how coupled susceptibility channels are diagonalized into collective frequencies, polarizations, bright and dark combinations, and damped modes.
  • Plasmons Preview owns dielectric zeros, loss functions, and dimensional scaling for collective charge response.
  • BCS Mean-Field Theory owns the reduced pairing model, linearized gap equation, and BCS pair-instability calculation.
  • Model pages own their equations of state, phase diagrams, and model-specific response curves.

Transport Coefficients Preview owns conductivities, viscosities, diffusion coefficients, and the additional contact and hydrodynamic structures those coefficients require.

Before quoting any susceptibility, specify five ingredients.

Write the perturbation explicitly:

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

The source may be a magnetic field, local chemical-potential shift, force, strain, pairing field, or gauge potential. Its sign and units determine the sign and units of the response.

The measured operator can differ from the source-coupled operator:

Aa≠Bb.A_a \ne B_b.

The ordered label χab\chi_{ab} means response of AaA_a to the field coupled through BbB_b. Interchanging the labels changes a cross-susceptibility unless a reciprocity relation applies.

State whether the detector is:

  • a total extensive quantity;
  • a density per physical volume;
  • a quantity per lattice site or unit cell;
  • a local operator;
  • a Fourier mode with a specified transform convention.

A factor of volume can turn a finite bulk susceptibility into an extensive quantity. This is not a cosmetic convention.

State whether the response is:

  • isothermal or adiabatic;
  • isolated or bath-equilibrated;
  • static or finite frequency;
  • uniform or finite wavevector;
  • measured before or after a thermodynamic limit;
  • defined with internal or externally applied fields.

An equilibrium derivative is incomplete without its constraints:

(∂n∂μ)T,V≠(∂n∂μ)S,V.\left( \frac{\partial n}{\partial\mu} \right)_{T,V} \ne \left( \frac{\partial n}{\partial\mu} \right)_{S,V}.

Likewise, fixed density, fixed chemical potential, fixed pressure, fixed strain, and fixed electric boundary conditions can produce different response coefficients.

For several source and detector channels,

δ⟨Aa(r,t)⟩=∑b∫dt′∫ddr′×χabR(r,t;r′,t′)fb(r′,t′).\begin{aligned} \delta\langle A_a(\mathbf r,t) \rangle ={}& \sum_b \int dt' \int d^d r' \\ &\times \chi^{\mathrm R}_{ab} (\mathbf r,t;\mathbf r',t') f_b(\mathbf r',t'). \end{aligned}

When the reference state is stationary and translation invariant,

δ⟨Aa(q,ω)⟩=∑bχabR(q,ω)fb(q,ω).\begin{aligned} \delta\langle A_a(\mathbf q,\omega) \rangle ={}& \sum_b \chi^{\mathrm R}_{ab} (\mathbf q,\omega) f_b(\mathbf q,\omega). \end{aligned}

For a detector with no explicit source dependence,

χabR(r,t;r′,t′)=iℏθ(t−t′)×⟨[Aa(r,t),Bb(r′,t′)]⟩0.\begin{aligned} \chi^{\mathrm R}_{ab} (\mathbf r,t;\mathbf r',t') ={}& \frac{i}{\hbar} \theta(t-t') \\ &\times \left\langle \left[ A_a(\mathbf r,t), B_b(\mathbf r',t') \right] \right\rangle_0. \end{aligned}

The Kubo formula gives this representation. A susceptibility name adds physical meaning only after AaA_a, BbB_b, fbf_b, and all normalizations have been fixed.

The general unit rule is

[χAB]=[A][f].[\chi_{AB}] = \frac{[A]}{[f]}.

Representative examples are:

ResponseDetectorSourceTypical units
spin responsespin densityspin field in energy unitsdensity per energy
magnetic responsemagnetization densitymagnetic induction or fieldconvention dependent
density susceptibilitynumber densitychemical potentialdensity per energy
isothermal compressibilityfractional volume or density changepressureinverse pressure
pair susceptibilitypair amplitude densitypair fieldnormalization dependent
cross responsedetector AAsource conjugate to BB[A]/[fB][A]/[f_B]

Electromagnetic unit systems distribute factors such as μ0\mu_0, charge, volume, and field conversion differently. The microscopic Hamiltonian coupling is the reliable starting point.

If

Atot=∫Vddr a(r),A_{\mathrm{tot}} = \int_V d^d r\, a(\mathbf r),

then a uniform extensive susceptibility often scales as

χtot∼Vχbulk.\chi_{\mathrm{tot}} \sim V\chi_{\mathrm{bulk}}.

Near a critical point, this simple extensive scaling can fail because long-range correlations make the bulk susceptibility itself size dependent.

For LL sites, authors may define

Aq=∑je−iq⋅rjAjA_{\mathbf q} = \sum_j e^{-i\mathbf q\cdot\mathbf r_j} A_j

or include L−1/2L^{-1/2} or L−1L^{-1}. The corresponding susceptibility differs by powers of LL. State the transform before comparing numerical data.

Several independent adjectives can apply to one response.

DistinctionFirst objectSecond object
spatiallocal χij\chi_{ij}momentum resolved χ(q)\chi(\mathbf q)
wavelengthuniform q=0\mathbf q=0finite q\mathbf q
timestaticdynamic χ(ω)\chi(\omega)
protocolthermodynamicisolated retarded
tensorlongitudinaltransverse
channeldiagonalcross
normalizationtotalper volume or site
fieldappliedinternal or screened

The phrase “the susceptibility” is therefore rarely sufficient in a many-body calculation.

For sources faf_a coupled to observables BaB_a, define

Ω(f)=−1βln⁡Tr⁡exp⁡[−β(H0−∑afaBa)].\Omega(\mathbf f) = -\frac{1}{\beta} \ln \operatorname{Tr} \exp\left[ -\beta \left( H_0-\sum_a f_aB_a \right) \right].

Then

⟨Ba⟩f=−∂Ω∂fa,\langle B_a\rangle_{\mathbf f} = -\frac{\partial\Omega}{\partial f_a},

and the isothermal static susceptibility matrix is

χabT=∂⟨Ba⟩f∂fb∣f=0=−∂2Ω∂fa∂fb∣f=0.\chi^{T}_{ab} = \left. \frac{ \partial\langle B_a\rangle_{\mathbf f} }{ \partial f_b } \right|_{\mathbf f=0} = -\left. \frac{ \partial^2\Omega }{ \partial f_a\partial f_b } \right|_{\mathbf f=0}.

For a stable equilibrium state and Hermitian source channels, this Hessian response is positive semidefinite for every real channel vector v\mathbf v:

∑a,bvaχabTvb≥0.\sum_{a,b} v_a \chi^T_{ab} v_b \ge0.

If the BaB_a commute with H0H_0, the matrix reduces to β\beta times an ordinary covariance matrix. If they do not commute, imaginary-time Kubo–Mori ordering replaces the ordinary covariance.

For a nondegenerate ground state and one Hermitian operator BB, let

H(f)=H0−fB.H(f)=H_0-fB.

Second-order perturbation theory gives

χB(0)=2∑m≠0∣⟨m∣B∣0⟩∣2Em−E0.\chi_{B}(0) = 2 \sum_{m\ne0} \frac{ \lvert\langle m\lvert B\rvert0\rangle\rvert^2 }{ E_m-E_0 }.

This expression is nonnegative and shows why low-lying states strongly enhance a static susceptibility. Degeneracy, level crossings, continuous spectra, and spontaneous symmetry breaking require a limiting prescription beyond this elementary formula.

For a spatially resolved dynamical susceptibility, at least two limits exist:

χstat=lim⁡q→0lim⁡ω→0χR(q,ω),\chi_{\mathrm{stat}} = \lim_{\mathbf q\to0} \lim_{\omega\to0} \chi^{\mathrm R}(\mathbf q,\omega),

and

χunif=lim⁡ω→0lim⁡q→0χR(q,ω).\chi_{\mathrm{unif}} = \lim_{\omega\to0} \lim_{\mathbf q\to0} \chi^{\mathrm R}(\mathbf q,\omega).

They need not agree. Taking ω→0\omega\to0 first allows a finite-wavelength modulation to relax before the wavelength becomes infinite. Taking q→0\mathbf q\to0 first can project onto a globally conserved charge whose isolated finite-frequency response vanishes.

Other noncommuting limits include:

V→∞,T→0,η→0+,tobs→∞.V\to\infty, \qquad T\to0, \qquad \eta\to0^+, \qquad t_{\mathrm{obs}}\to\infty.

Every reported “static susceptibility” should identify the path through these limits.

When several operators share the same symmetry, a source in one channel can induce multiple detectors:

δA=χ f.\delta\mathbf A = \boldsymbol{\chi}\, \mathbf f.

Off-diagonal entries are cross-susceptibilities. Examples include spin–charge response, magnetoelectric response, and coupled density–pair channels in broken-symmetry formalisms.

An eigenvector of a properly normalized static susceptibility matrix identifies a linear combination of operators that responds coherently. A growing largest eigenvalue can reveal the dominant ordering tendency.

Three cautions are essential:

  1. Eigenvalues depend on the relative normalization and units of the channels.
  2. A large response does not identify the microscopic interaction by itself.
  3. A finite-system eigenvalue cannot truly diverge at finite temperature.

Symmetry can force cross entries to vanish. Reciprocity can relate χab\chi_{ab} and χba\chi_{ba} only after time-reversal parities and time-reversal-odd control fields have been transformed correctly.

Let the microscopic magnetic coupling be

HZ(t)=−∫ddr B(r,t)⋅M(r),H_Z(t) = -\int d^d r\, \mathbf B(\mathbf r,t) \cdot \mathbf M(\mathbf r),

where M\mathbf M is the magnetic-moment density in the chosen unit convention. Then

δ⟨Mi(q,ω)⟩=∑jχijM(q,ω)Bj(q,ω).\delta\langle M_i(\mathbf q,\omega) \rangle = \sum_j \chi^M_{ij} (\mathbf q,\omega) B_j(\mathbf q,\omega).

The susceptibility is generally a tensor. Crystal symmetry, spin–orbit coupling, external fields, and magnetic order determine which components are independent.

Microscopic field versus reported bulk field

Section titled “Microscopic field versus reported bulk field”

In SI macroscopic notation, experiments often report

M=χHHint,\mathbf M = \boldsymbol{\chi}_H \mathbf H_{\mathrm{int}},

while a microscopic Zeeman Hamiltonian is naturally written using magnetic induction B\mathbf B. Since

B=μ0(H+M),\mathbf B = \mu_0 \left( \mathbf H+\mathbf M \right),

field conversion and demagnetization geometry matter. A susceptibility inferred from the applied field is not automatically the intrinsic response to the internal field. Magnetic Anisotropy defines the SI demagnetizing tensor, self-energy, and ellipsoidal limits.

Relative to a unit vector m^\hat{\mathbf m} set by the field or ordered moment,

χL=m^iχijm^j,\chi_L = \hat m_i \chi_{ij} \hat m_j,

whereas the transverse tensor is projected with

PijT=δij−m^im^j.P^T_{ij} = \delta_{ij} - \hat m_i\hat m_j.

Longitudinal response changes the moment magnitude. Transverse response rotates it and can contain precession or Goldstone poles. In an isotropic unpolarized state, the tensor reduces to a scalar multiple of δij\delta_{ij}.

For one spin-1/21/2 magnetic moment,

HZ=−gμBBσz2.H_Z = -g\mu_{\mathrm B}B \frac{\sigma_z}{2}.

The moment is

⟨μz⟩=gμB2tanh⁡(βgμBB2).\langle\mu_z\rangle = \frac{g\mu_{\mathrm B}}{2} \tanh\left( \frac{\beta g\mu_{\mathrm B}B}{2} \right).

Therefore

χB=∂⟨μz⟩∂B=β(gμB)24sech⁡2(βgμBB2).\chi_B = \frac{ \partial\langle\mu_z\rangle }{ \partial B } = \frac{ \beta(g\mu_{\mathrm B})^2 }{4} \operatorname{sech}^2 \left( \frac{\beta g\mu_{\mathrm B}B}{2} \right).

At weak field,

χB(0)=(gμB)24kBT.\chi_B(0) = \frac{ (g\mu_{\mathrm B})^2 }{ 4k_{\mathrm B}T }.

Multiplying by the spin density gives the bulk Curie law for independent moments. Interactions, crystal-field multiplets, Kondo screening, and collective order can change this behavior qualitatively.

For a noninteracting Fermi gas at zero temperature, let

D(EF)\mathcal D(E_{\mathrm F})

be the total density of one-particle states per volume and per energy, including both spin species at zero field. The response to magnetic induction is

χP,B=(gμB)24D(EF).\chi_{\mathrm P,B} = \frac{(g\mu_{\mathrm B})^2}{4} \mathcal D(E_{\mathrm F}).

If the density of states is quoted per spin instead, the prefactor changes accordingly. In SI and weak magnetization, the dimensionless susceptibility to H\mathbf H introduces an additional factor of μ0\mu_0.

The Curie and Pauli laws describe different physics: localized thermal moments versus redistribution near a Fermi surface.

Use 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).

The density susceptibility is defined by

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

For a stable compressible phase, the static long-wavelength chemical-potential response is nonnegative under this convention.

Particle–Hole Excitations shows how a one-body density vertex creates occupied-to-empty fermion promotions and how their phase space sets the absorptive support of the independent susceptibility.

Electronic-response literature often introduces a potential energy UU through

Hpert=+∫ddr U(r,t)n(r).H_{\mathrm{pert}} = +\int d^d r\, U(\mathbf r,t)n(\mathbf r).

Define

δn=ΠRδU.\delta n = \Pi^R\delta U.

Since

U=−δμ,U=-\delta\mu,

the two response functions satisfy

ΠR=−χnnR.\Pi^R = -\chi^R_{nn}.

Thus a static Lindhard polarization ΠR<0\Pi^R\lt0 and a chemical-potential susceptibility χnnR>0\chi^R_{nn}\gt0 can describe the same system. Mixing one convention’s numerator with the other convention’s screening denominator creates false signs and false poles.

At q=0\mathbf q=0, the density mode is total particle number:

nq=0=N.n_{\mathbf q=0} = N.

If

[H0,N]=0,[H_0,N]=0,

then the isolated retarded self-response obeys

χNNR(ω)=0.\chi^R_{NN}(\omega)=0.

This does not imply zero compressibility. A thermodynamic chemical-potential change reweights number sectors or compares neighboring fixed-NN free energies, whereas isolated unitary evolution preserves NN.

For a conserved number density,

∂tn+∇⋅j=0.\partial_t n + \boldsymbol{\nabla}\cdot\mathbf j =0.

In Fourier space,

−iω δn+iq⋅δj=0.-i\omega\,\delta n + i\mathbf q\cdot\delta\mathbf j =0.

Density and longitudinal-current responses must satisfy the corresponding Ward identities. An approximation that violates continuity can produce an incorrect compressibility, spurious spectral weight, or a gauge-dependent result.

For a homogeneous one-component system,

n=⟨N⟩V.n = \frac{\langle N\rangle}{V}.

Two common definitions are

κn=(∂n∂μ)T,\kappa_n = \left( \frac{\partial n}{\partial\mu} \right)_{T},

and the isothermal thermodynamic compressibility

κT=1n2(∂n∂μ)T.\kappa_T = \frac{1}{n^2} \left( \frac{\partial n}{\partial\mu} \right)_{T}.

Thus

κn=n2κT.\kappa_n = n^2\kappa_T.

The first has units of density per energy. The second has units of inverse pressure. Calling both quantities κ\kappa without a definition is a common source of missing factors.

Under matching equilibrium, normalization, and order-of-limits conventions,

lim⁡q→0χnn(q,ω=0)=κn=n2κT.\lim_{\mathbf q\to0} \chi_{nn}(\mathbf q,\omega=0) = \kappa_n = n^2\kappa_T.

This relation is a consistency condition, not permission to replace every q=0\mathbf q=0 retarded correlator by a thermodynamic derivative. The finite-wavevector static limit must be taken in a way that permits density redistribution and equilibration.

On a lattice, define the local response matrix

χij=∂⟨ni⟩∂μj.\chi_{ij} = \frac{ \partial\langle n_i\rangle }{ \partial\mu_j }.

Three quantities then differ:

χiilocal response to a local source,\chi_{ii} \quad \text{local response to a local source}, ∂⟨ni⟩∂μ=∑jχijlocal response to a global source,\frac{ \partial\langle n_i\rangle }{ \partial\mu } = \sum_j\chi_{ij} \quad \text{local response to a global source},

and

∂⟨N⟩∂μ=∑i,jχijglobal number response.\frac{ \partial\langle N\rangle }{ \partial\mu } = \sum_{i,j}\chi_{ij} \quad \text{global number response}.

They coincide only in special limits and normalizations. In a trap, a locally incompressible plateau can coexist with a globally compressible cloud whose boundary moves as μ\mu changes.

At zero temperature, a finite interval of chemical potential over which the density is constant implies

κn=0.\kappa_n=0.

This is a useful signature of a charge gap or Mott plateau, but finite-size steps, disorder, phase coexistence, and thermal activation must be distinguished from a bulk incompressible phase.

At positive temperature, a gapped phase generally has an exponentially small rather than exactly zero compressibility.

Choose a pair annihilation operator with form factor gkg_{\mathbf k}:

Δg=∑kgkc−k↓ck↑.\Delta_g = \sum_{\mathbf k} g_{\mathbf k} c_{-\mathbf k\downarrow} c_{\mathbf k\uparrow}.

Introduce a complex external pair field:

Hpair′=−η∗(t)Δg−η(t)Δg†.H_{\mathrm{pair}}' = -\eta^*(t)\Delta_g - \eta(t)\Delta_g^\dagger.

The retarded response of the pair amplitude to the source coupled through Δg†\Delta_g^\dagger is

χpairR(t)=iℏVθ(t)×⟨[Δg(t),Δg†(0)]⟩,\begin{aligned} \chi^R_{\mathrm{pair}}(t) ={}& \frac{i}{\hbar\mathcal V} \theta(t) \\ &\times \left\langle \left[ \Delta_g(t), \Delta_g^\dagger(0) \right] \right\rangle, \end{aligned}

where V\mathcal V is the volume, site count, or omitted normalization specified by the calculation.

The source explicitly breaks particle-number symmetry while it is present. It is a generating field, not a claim that the exact source-free finite system fails to conserve particle number.

In a number eigenstate,

⟨Δg⟩=0\langle\Delta_g\rangle=0

at zero source, yet

∂⟨Δg⟩η∂η∣η=0\left. \frac{ \partial\langle\Delta_g\rangle_\eta }{ \partial\eta } \right|_{\eta=0}

can be large. A susceptibility measures readiness to respond; it need not equal a pre-existing order parameter.

In a normal-state approximation, an attractive interaction can produce a criterion schematically of the form

1=gχpair(0)(Tc).1 = g\chi_{\mathrm{pair}}^{(0)}(T_{\mathrm c}).

The precise sign, volume factor, and form-factor normalization depend on how the interaction and pair operator are defined. BCS Mean-Field Theory owns the canonical reduced-model calculation.

A divergent pair susceptibility in the thermodynamic limit signals instability of the normal reference state. It does not by itself determine the ordered-state gap, stiffness, collective modes, or fluctuation-corrected critical behavior.

Do not identify the pair susceptibility with:

  • the anomalous expectation value ⟨cc⟩\langle cc\rangle;
  • the single-particle excitation gap;
  • phase stiffness or superfluid density;
  • the Meissner response;
  • pair-binding energy;
  • off-diagonal long-range order.

These quantities can be related in specific theories, but they are not interchangeable definitions.

For a vector response at nonzero wavevector, define

PijL(q)=qiqjq2,P^L_{ij}(\mathbf q) = \frac{q_iq_j}{q^2},

and

PijT(q)=δij−qiqjq2.P^T_{ij}(\mathbf q) = \delta_{ij} - \frac{q_iq_j}{q^2}.

Then

χL=PijLχij,\chi_L = P^L_{ij}\chi_{ij},

while the transverse part is

χijT=PikTχkℓPℓjT.\chi^T_{ij} = P^T_{ik} \chi_{k\ell} P^T_{\ell j}.

Longitudinal versus transverse relative to q\mathbf q is distinct from longitudinal versus transverse relative to an ordered moment. State which direction defines the decomposition.

At q=0\mathbf q=0, the projector is undefined. The zero-wavevector tensor must be obtained by a directional limit or from symmetry, not by dividing by q2q^2 after setting q=0q=0.

A cross-susceptibility has different source and detector channels:

χAB=δ⟨A⟩δfB.\chi_{AB} = \frac{\delta\langle A\rangle}{\delta f_B}.

Its imaginary part need not have a definite sign. Passivity constrains the absorptive quadratic form of the full response matrix, not each off-diagonal component separately.

Examples include:

  • spin response to an electric field in spin–orbit-coupled systems;
  • density response to a pairing source in a symmetry-broken phase;
  • magnetization response to strain;
  • coupled charge and orbital channels;
  • thermoelectric response between particle and energy currents.

Transport cross-coefficients require additional care because currents, gradients, and contact terms enter. Their thermodynamic-force and Onsager–Casimir conventions are developed in Transport Coefficients Preview rather than this static channel dictionary.

An unbroken symmetry can force a response to vanish. If AA and BB transform in inequivalent irreducible representations and the reference state preserves the symmetry, then

χAB=0\chi_{AB}=0

unless the source or geometry supplies the missing symmetry quantum numbers.

Selection rules can therefore hide a low-energy excitation from one probe while leaving it visible to another. A missing peak need not mean a missing state.

Under equilibrium microscopic reversibility, Onsager–Casimir relations can connect transposed channels after reversing magnetic fields and other time-reversal-odd controls. Retarded and Advanced Response gives the bounded reciprocity statement and its assumptions.

Large Response, Divergence, and Instability

Section titled “Large Response, Divergence, and Instability”

A susceptibility becomes large when a weak source can move the state strongly. Possible reasons include:

  • a small excitation gap with a nonzero matrix element;
  • many nearly degenerate transitions;
  • a long correlation length;
  • proximity to a continuous transition;
  • phase coexistence or switching;
  • an approximate denominator nearing zero;
  • a finite-size level crossing;
  • population inversion or active gain.

These mechanisms are physically distinct.

At finite temperature, a finite-dimensional system has an analytic partition function for finite sources. Its equilibrium susceptibility is finite. Sharp peaks can grow with size, but a true divergence requires a thermodynamic or continuum limit.

At zero temperature, a finite system can have nonanalytic level crossings. A level crossing is not automatically the finite-size version of a bulk continuous transition.

For an extensive order parameter MM and a bulk equilibrium susceptibility,

χM=βVVar⁡(M),\chi_M = \frac{\beta}{V} \operatorname{Var}(M),

critical correlations can make Var⁡(M)\operatorname{Var}(M) grow faster than VV. The peak height, width, and location then obey finite-size scaling rather than ordinary central-limit scaling.

The correct analysis compares several sizes and a specified scaling ansatz. One large finite peak is not proof of criticality. Critical Exponents and Scaling owns peak, width, crossing-drift, correction, and covariance-aware collapse methods.

In an effective quadratic theory, an instability often appears when an eigenvalue of the inverse static susceptibility approaches zero:

λmin⁡[χ−1]⟶0.\lambda_{\min} \left[ \boldsymbol{\chi}^{-1} \right] \longrightarrow0.

This criterion is basis meaningful only after channel normalization is fixed. An approximation can also generate a false zero by violating conservation laws, double counting interactions, or using inconsistent self-energy and vertex corrections.

Different experiments extract susceptibilities in different ways.

MethodSourceDetectorImportant caveat
magnetometryapplied magnetic fieldtotal momentinternal field and demagnetization
magnetic resonanceoscillating magnetic fieldtransverse magnetizationphase calibration and linewidth origin
equation of statechemical potential or pressuredensityheld-fixed variables and trap inversion
lattice modulationlocal potentialdensity modechemical-potential versus potential sign
scatteringprobe momentum and energystructure factorrequires fluctuation–dissipation conversion
pair-field calculationcomplex source η\etapair amplitudesource breaks number symmetry
numerical source derivativeexplicit Hamiltonian parameterchosen observablefinite difference and equilibration

Scattering commonly measures an ordered correlation spectrum rather than χR\chi^R directly. Converting it to the absorptive response requires equilibrium, temperature, operator-order, and normalization information.

For an equilibrium source,

χ≈⟨A⟩+δf−⟨A⟩−δf2δf.\chi \approx \frac{ \langle A\rangle_{+\delta f} - \langle A\rangle_{-\delta f} }{ 2\delta f }.

Repeat at several δf\delta f. A field that is too large leaves linear response; one that is too small amplifies solver and sampling noise.

When an exact fluctuation or Kubo–Mori identity applies, a zero-source estimator can be more efficient than separate source simulations. Autocorrelation time, ensemble constraints, disconnected subtraction, and operator ordering must still be controlled.

Exact diagonalization can evaluate matrix elements and transition denominators directly. Real-time evolution can extract χR(t)\chi^R(t) after an impulse. Finite size gives discrete lines, and finite duration limits frequency resolution.

Quantum Monte Carlo and thermal tensor-network methods often produce imaginary-time correlations. Static susceptibilities may be accessible by integration without reconstructing a full real-frequency spectrum. Dynamic susceptibilities require analytic continuation, which is ill conditioned.

For multiple channels:

  1. use the same units and normalization across sizes;
  2. symmetrize only when a justified equilibrium identity requires it;
  3. report eigenvectors as well as eigenvalues;
  4. test stability against basis enlargement;
  5. separate symmetry-enforced zeros from numerical noise.

Before interpreting a susceptibility, verify:

  1. Source: Is the perturbing Hamiltonian written explicitly?
  2. Detector: Which observable is measured?
  3. Order: Does χAB\chi_{AB} mean response of AA to the source coupled through BB?
  4. Units: Are magnetic, density, pair, and volume factors explicit?
  5. Normalization: Total, per volume, per site, local, or Fourier mode?
  6. Protocol: Isothermal, adiabatic, isolated, or open?
  7. Limits: In what order are ω\omega, q\mathbf q, VV, TT, and broadening taken?
  8. Symmetry: Which tensor and cross components are allowed?
  9. Conservation: Are continuity equations and Ward identities satisfied?
  10. Passivity: Is the diagonal absorptive response physical?
  11. Thermodynamics: Does the static long-wavelength result match the equation of state when it should?
  12. Finite size: Does a peak scale consistently rather than merely sharpen once?
  13. Approximation: Are self-energy, vertex, and source derivatives treated consistently?
  14. Experiment: Is the internal field or calibrated source the one used in the definition?
  • Quoting χ\chi without naming the source and detector.
  • Comparing a total susceptibility with a per-volume result.
  • Calling ∂n/∂μ\partial n/\partial\mu and n−2∂n/∂μn^{-2}\partial n/\partial\mu by the same symbol without warning.
  • Mixing Π=δn/δU\Pi=\delta n/\delta U with χ=δn/δμ\chi=\delta n/\delta\mu.
  • Evaluating a conserved q=0\mathbf q=0 retarded response and calling it the thermodynamic compressibility.
  • Confusing local response to a local source with local response to a global chemical potential.
  • Treating the applied magnetic field as the internal microscopic field without geometry corrections.
  • Assuming every cross-susceptibility is positive.
  • Calling a large pair susceptibility a nonzero pair order parameter.
  • Equating pair susceptibility with stiffness, a gap, or pair binding.
  • Using longitudinal and transverse without naming the reference direction.
  • Diagnosing a phase transition from one finite-size peak.
  • Hiding broadening, source amplitude, or finite-difference choices.
  • Applying a fluctuation formula to noncommuting operators without Kubo–Mori ordering.
  1. Write the source-coupled Hamiltonian.
  2. Define detector operators and their normalization.
  3. Choose static, dynamic, local, uniform, or finite-wavevector response.
  4. State the ensemble and held-fixed variables.
  5. Derive or compute the response without changing conventions midstream.
  6. Test symmetry, adjoint, conservation, and thermodynamic identities.
  7. Audit signs with a simple stable benchmark.
  8. Repeat across source strength, system size, broadening, and limit order.
  9. Convert to experimental units only after the microscopic response is fixed.
  10. Report whether an enhancement reflects a gap, continuum, criticality, coexistence, or an approximation pole.

For one spin-1/21/2 moment with

H=−gμBBσz2,H = -g\mu_{\mathrm B}B \frac{\sigma_z}{2},

derive the zero-field susceptibility to BB.

Solution

The two energies are

E±=∓gμBB2.E_\pm = \mp \frac{g\mu_{\mathrm B}B}{2}.

The partition function is

Z=2cosh⁡(βgμBB2).Z = 2\cosh \left( \frac{\beta g\mu_{\mathrm B}B}{2} \right).

The magnetic moment is

⟨μz⟩=1β∂ln⁡Z∂B=gμB2tanh⁡(βgμBB2).\langle\mu_z\rangle = \frac{1}{\beta} \frac{\partial\ln Z}{\partial B} = \frac{g\mu_{\mathrm B}}{2} \tanh \left( \frac{\beta g\mu_{\mathrm B}B}{2} \right).

Differentiating,

χB(B)=β(gμB)24sech⁡2(βgμBB2).\chi_B(B) = \frac{\beta(g\mu_{\mathrm B})^2}{4} \operatorname{sech}^2 \left( \frac{\beta g\mu_{\mathrm B}B}{2} \right).

Thus

χB(0)=(gμB)24kBT.\chi_B(0) = \frac{(g\mu_{\mathrm B})^2} {4k_{\mathrm B}T}.

For a number density nsn_s of independent moments, multiply by nsn_s to obtain the bulk response to BB.

Exercise 2: Chemical potential versus potential energy

Section titled “Exercise 2: Chemical potential versus potential energy”

A calculation gives

δn=Π δU\delta n = \Pi\,\delta U

with Π(q,0)<0\Pi(\mathbf q,0)\lt0. Show how to express the same result using a chemical-potential source.

Solution

The potential-energy perturbation is

H′=+∫ddr Un.H' = +\int d^d r\, U n.

The chemical-potential convention is

H′=−∫ddr δμ n.H' = -\int d^d r\, \delta\mu\,n.

Therefore

U=−δμ.U=-\delta\mu.

Substitution gives

δn=−Π δμ.\delta n = -\Pi\,\delta\mu.

Hence

χnn=δnδμ=−Π.\chi_{nn} = \frac{\delta n}{\delta\mu} = -\Pi.

A negative static polarization and positive static chemical-potential susceptibility are consistent.

Show why a particle-number-conserving isolated system can have

χNNR(ω)=0\chi^R_{NN}(\omega)=0

and still have nonzero isothermal compressibility.

Solution

If

[H0,N]=0,[H_0,N]=0,

then

N(t)=N.N(t)=N.

The retarded commutator is therefore

χNNR(t)=iℏθ(t)⟨[N,N]⟩=0.\chi^R_{NN}(t) = \frac{i}{\hbar} \theta(t) \langle[N,N]\rangle =0.

The isothermal compressibility instead compares equilibrium states at nearby chemical potentials:

κn=(∂n∂μ)T.\kappa_n = \left( \frac{\partial n}{\partial\mu} \right)_T.

Changing μ\mu reweights number sectors in the grand-canonical ensemble or compares neighboring fixed-NN free energies. Isolated unitary evolution does neither. The two responses use different protocols and limit orders.

Exercise 4: Local and global compressibility

Section titled “Exercise 4: Local and global compressibility”

Given

χij=∂⟨ni⟩∂μj,\chi_{ij} = \frac{ \partial\langle n_i\rangle }{ \partial\mu_j },

derive the response of site ii and of total number NN to a uniform chemical-potential change.

Solution

A uniform change satisfies

δμj=δμ\delta\mu_j = \delta\mu

for every jj. Therefore

δ⟨ni⟩=∑jχijδμ,\delta\langle n_i\rangle = \sum_j \chi_{ij} \delta\mu,

so

∂⟨ni⟩∂μ=∑jχij.\frac{ \partial\langle n_i\rangle }{ \partial\mu } = \sum_j\chi_{ij}.

Since

N=∑ini,N=\sum_i n_i,

the total response is

∂⟨N⟩∂μ=∑i,jχij.\frac{ \partial\langle N\rangle }{ \partial\mu } = \sum_{i,j}\chi_{ij}.

The diagonal element χii\chi_{ii} is only the response at ii to a source applied at ii. It is not generally either of these uniform-source responses.

Exercise 5: Static ground-state susceptibility

Section titled “Exercise 5: Static ground-state susceptibility”

For a nondegenerate ground state of H0H_0 and perturbation H(f)=H0−fBH(f)=H_0-fB, derive

χB(0)=2∑m≠0∣Bm0∣2Em−E0.\chi_B(0) = 2 \sum_{m\ne0} \frac{ \lvert B_{m0}\rvert^2 }{ E_m-E_0 }.
Solution

Second-order nondegenerate perturbation theory gives

E0(f)=E0−fB00−f2∑m≠0∣Bm0∣2Em−E0+O(f3).\begin{aligned} E_0(f) ={}& E_0 - fB_{00} \\ &- f^2 \sum_{m\ne0} \frac{ \lvert B_{m0}\rvert^2 }{ E_m-E_0 } + O(f^3). \end{aligned}

The expectation conjugate to ff is

⟨B⟩f=−dE0(f)df.\langle B\rangle_f = -\frac{dE_0(f)}{df}.

Hence

χB(0)=d⟨B⟩fdf∣f=0=−E0′′(0),\chi_B(0) = \left. \frac{ d\langle B\rangle_f }{ df } \right|_{f=0} = -E_0''(0),

which yields the stated sum. Every denominator is positive, so the susceptibility is nonnegative.

Degenerate ground states require degenerate perturbation theory and a specified symmetry-breaking or ensemble prescription.

For

Hpair′=−η∗Δ−ηΔ†,H_{\mathrm{pair}}' = -\eta^*\Delta - \eta\Delta^\dagger,

identify the retarded correlator that gives the response of ⟨Δ⟩\langle\Delta\rangle to η\eta.

Solution

The source η\eta multiplies Δ†\Delta^\dagger with a minus sign. Therefore the Kubo detector is A=ΔA=\Delta and the source-coupled operator is B=Δ†B=\Delta^\dagger:

χΔΔ†R(t)=iℏθ(t)⟨[Δ(t),Δ†(0)]⟩.\chi^R_{\Delta\Delta^\dagger}(t) = \frac{i}{\hbar} \theta(t) \left\langle \left[ \Delta(t), \Delta^\dagger(0) \right] \right\rangle.

If an intensive pair amplitude is desired, divide by the chosen volume or site normalization.

The source explicitly changes particle number by two while present. The derivative is evaluated at zero source, so this construction is compatible with an exactly number-conserving source-free Hamiltonian.

Let

χabT=−∂2Ω∂fa∂fb.\chi^T_{ab} = -\frac{ \partial^2\Omega }{ \partial f_a\partial f_b }.

Explain why vTχTv≥0\mathbf v^{\mathsf T}\boldsymbol{\chi}^T\mathbf v\ge0 for every real source vector v\mathbf v in a Hermitian equilibrium channel basis.

Solution

Choose one combined Hermitian operator using real coefficients:

Bv=∑avaBaB_{\mathbf v} = \sum_a v_aB_a

with source amplitude λ\lambda. The quadratic form is the second response of the conjugate expectation:

vTχTv=−d2Ω(λ)dλ2∣λ=0.\mathbf v^{\mathsf T} \boldsymbol{\chi}^T \mathbf v = -\left. \frac{d^2\Omega(\lambda)}{d\lambda^2} \right|_{\lambda=0}.

The equilibrium grand potential is concave in a linearly coupled source. Equivalently, the second derivative is a Kubo–Mori covariance of BvB_{\mathbf v} with itself and is nonnegative after the minus sign. Thus the susceptibility matrix is positive semidefinite.

A negative eigenvalue signals an inconsistent convention, an unstable constrained state, or a calculation that is not the equilibrium Hessian being claimed.

A sequence of finite lattices shows a growing magnetic-susceptibility peak. List the checks needed before claiming a continuous phase transition.

Solution

One should:

  1. verify that the source, moment normalization, and volume factor are identical across sizes;
  2. estimate statistical and truncation errors;
  3. test several sizes rather than two;
  4. fit the peak height, width, and location to a finite-size scaling ansatz;
  5. compare with correlation-length and order-parameter observables;
  6. rule out a level crossing, first-order coexistence, Schottky peak, or crossover;
  7. control boundary conditions and aspect ratio;
  8. state the order of thermodynamic and zero-field limits.

A finite system has no finite-temperature divergence. The claim must come from consistent scaling toward a thermodynamic singularity.

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