For the XXZ spin chain, write and replace each spin by a classical vector of length . A bond is , whose minimum is . For an even periodic chain all bonds can attain that bound simultaneously. The classical ground states of an XXZ spin chain therefore give gives the two easy-axis Néel states and its reversal, with energy .
For the ground states are planar Néel configurations, , with arbitrary : their degeneracy is a circle and their energy is . This includes the easy-plane interval used later. Part (a), however, does not restrict negative to that interval. For , and the lowest states are instead the two uniform -polarized ferromagnetic configurations, with energy . At , a rotation by about on alternating sites maps the classical energy to an isotropic ferromagnet: for any unit vector is a ground state. This special degeneracy is a sphere. At the other boundary, , the ordinary Néel direction is arbitrary on a sphere. These statements concern classical minimizing configurations, not the degeneracy of the exact finite-chain quantum ground state.
The normalized Hartree product state and its equivalent second quantization form are
The product is already symmetric under exchanging bosons; no additional belongs in the coordinate wavefunction. The factor in the second quantization expression instead normalizes repeated creation operators acting on the vacuum state. This is a fixed-number two-mode condensate, with every boson in the same normalized orbital.
Set and . Its binomial distribution of occupations gives
The expectation value of the Hamiltonian operator is therefore
Keeping rather than replacing it by retains the exact pair count of the trial quantum state. Equivalently, with , its interaction contribution is and its one-particle contribution is .
Choose the nonredundant parameter range , with modulo . For , minimizing over the relative phase gives . Putting , the remaining nonconstant energy is , which decreases with for the repulsive coupling . Hence
The optimal orbital is the symmetric . Both the quantum tunnelling term and the repulsive interaction favor this balanced occupation within the Hartree product state family. This result uses a variational method: for strong repulsion relative to quantum tunnelling, the true many-body ground state can have smaller occupation fluctuations than this fixed-number two-mode condensate.
For a uniform continuum gas with pair interactions depending on relative positions, a Galilean boost changes every particle momentum by and leaves the interaction energy unchanged. Write . The transformed many-body Hamiltonian operator is
The resting ground state has , so the Galilean boost energy of an interacting gas is
The mass here is the bare particle mass, because this is an exact transformation of the microscopic kinetic energy. Substituting the Fermi-liquid effective mass would omit the change in interaction energy encoded by the Landau quasiparticle energy functional. This conclusion requires the Principle of Galilean relativity; a gas in a lattice or a fixed external potential energy landscape need not obey it.
At , the two spin occupations per site are and . With , the trial energy per site is
Its derivative is . Since is a boundary point, its local minimum test is one-sided: . At , where this derivative vanishes, its Taylor series begins for small positive . Hence
The same applies to by spin interchange.
The symmetry makes a stationary point for every . Here , so the second-derivative test settles all cases except equality. Writing , at the Taylor series is . Thus
The minimizing branches interpolate continuously. To find all of them, put on . An interior stationary point obeys
The right side decreases strictly from to , since
The positivity follows from . There is therefore exactly one such stationary point on each side of when . The signs of show that both are global minima, whereas is then a local maximum. The complete answer is
The pair merges through a supercritical pitchfork bifurcation at . Comparing only and would miss the intervening ground states with partial spin polarization.
Figure 1.
Minimizing spin fractions in the restricted Fermi-sea approximation
. Both symmetry-related global minima are plotted. The intermediate branches join the fully polarized endpoints continuously at and merge at . Details.
For , the leading objective is to avoid adjacent electrons of the same spin. The unpolarized Fermi sea, although optimal within the preceding restricted family, has interaction energy per site . Its cost grows linearly with , while states with no forbidden neighbouring pairs have zero interaction energy.
There are two independent spinless fermion t-V chains, one for each spin. On an even ring, avoiding all neighbouring pairs allows at most particles in each chain. Since the total is , both bounds must be saturated, and each chain must alternate occupied and empty sites. Their two independent choices give four limiting occupation patterns:
The first two are Néel states with one electron per site; the last two are charge density waves alternating doubly occupied and empty sites. Opposite-spin double occupation costs nothing in this particular Hamiltonian. Each species has alternating occupation in all four patterns.
These are the exact zero-interaction ground states at , and the limiting ordered configurations as . At large finite , virtual hopping admixes configurations with forbidden pairs, producing an energy correction of order . A finite ring can have superpositions of the ordered configurations, with possible quantum tunnelling splittings; four exactly degenerate product ground states are not implied at finite hopping. The four ordered choices describe the strong-coupling thermodynamic limit, with spontaneous symmetry breaking understood.
Measure single-particle energy from the quantum harmonic oscillator ground state energy , and write . The Bose-Einstein distribution and the supplied density of states give
This excited-state population increases with the chemical potential and has the finite saturation value
Any additional particles must occupy the ground state: this is two-dimensional harmonic-trap Bose condensation. The critical temperature and the condensate fraction are therefore
Here is the total particle number, the integral of the inhomogeneous number density over the trap; there is no fixed uniform area in which itself is a number density. Equivalently relates the trap population to the critical temperature. Harmonic confinement changes the low-energy density of states and permits this saturation in two spatial dimensions.
These formulas are leading large- results with . A sharp transition belongs to the trapped-gas thermodynamic limit , at fixed ; a finite trap has finite-size rounding. In particular, finite requires , approaching zero in the condensation limit.
The Hartree product state underlying the Gross–Pitaevskii equation has the factorized one-body coherence of a Hartree condensate. Choosing its nodeless ground state orbital real gives
In particular, the Thomas–Fermi approximation for a condensate from part (d) predicts
The curve starts at , decreases with zero slope at the origin, and reaches zero with an infinite slope at . Restoring the kinetic energy in the full Gross–Pitaevskii equation rounds that edge and produces a nonzero tail. This corrects the Thomas–Fermi approximation for a condensate, but the resulting one-body density matrix still factorizes.
The additional missing physics is quantum depletion. Interactions scatter pairs of bosons into orbitals outside the Bose-Einstein condensate even at zero temperature. In terms of the true Bose-Einstein condensate orbital the exact one-body density matrix decomposes as
The single-orbital Hartree product state sets and omits altogether. In a weakly interacting Bose gas, Bogoliubov theory adds a comparatively short-range noncondensed contribution near the origin, together with reduced weight in the broad Bose-Einstein condensate component. The central value remains the total number density, not just the condensate density. Its numerical shift relative to the original Gross–Pitaevskii equation solution also depends on the interaction-induced redistribution of number density; it is not fixed by the condensate fraction alone.
Figure 1.
Edge smoothing and quantum depletion give different corrections to the correlation
. Left: a numerical radial Gross–Pitaevskii solution at is compared with the Thomas–Fermi curve, each at the same . Right: an illustrative depletion correction reduces the broad component and adds a narrow contribution, with the central density held fixed for comparison. Its weight and width are schematic, not a calculation of the exact interacting gas. Solving the full Gross–Pitaevskii equation accounts for the left correction only. Details.
Take and use the usual common invariant domain for the position operator, momentum operator and their products. Since and are self-adjoint,
Expanding the commutator and using gives
The two products are
Consequently the quantum harmonic oscillator Hamiltonian operator is
The identity now gives
Thus . Each ladder image is an eigenstate if it is nonzero; a zero vector is not an eigenstate. The distinction is needed for lowering the ground state. Their squared norms are
These follow by moving the operator to the other side of the inner product with its adjoint operator. The first inequality implies for every eigenstate.
For a lowest-energy quantum state, must vanish, since otherwise it would be an eigenstate with lower energy. The norm formula then forces . Raising never vanishes and produces
To see that there are no other eigenvalues, repeatedly lower any eigenstate. If were not a nonnegative integer, there would be a final nonzero lowered quantum state with energy strictly between and . Its lower image would have positive norm but energy below the lower bound, a contradiction. Thus every eigenstate reaches the ground eigenspace after an integer number of lowerings. On a positive level, lowering is injective by its strictly positive norm factor. The assumed one-dimensional ground eigenspace therefore makes every eigenspace one-dimensional, so the displayed raised quantum states give all eigenstates up to nonzero multiples. If is normalized, their norms are .
For , has eigenvalue , distinct from . eigenstates of a self-adjoint operator with distinct eigenvalues are orthogonal: applying self-adjointness to their inner product gives . Therefore
The expectation of also vanishes, either by lowering and orthogonality or by conjugating the adjoint relation.
Solving the ladder definitions for and gives
so . Both terms have zero expectation by the preceding orthogonality. Since , the oscillator form of the quantum virial theorem is
Expectations here are divided by if the eigenstate is not normalized; no normalization assumption was used in the ladder argument.
In the scalar two-particle model, the fermionic exchange symmetry and bosonic exchange symmetry conditions are
For particles with spin, exchange acts on all their labels; the stated coordinate-only model fixes the spatial symmetry sector. Define . Equal masses make the kinetic operator invariant under exchange, and the assumed potential is invariant too, so . Therefore implies . The components
are respectively symmetric and antisymmetric eigenfunctions whenever nonzero. Their sum is the original nonzero quantum state, so at least one is nonzero. An eigenspace may contain both sectors if the energy is degenerate.
The normal modes of two harmonically coupled identical particles provide the separation. The coordinate transformation to is orthogonal, with absolute Jacobian one. Exchanging the particles leaves fixed and changes to . Hence bosonic quantum states are even and fermionic quantum states odd in the relative coordinate. The chain rule gives
Also and . Combining the two trapping potentials with the interaction therefore gives the separated Hamiltonian operator
These are independent oscillators of frequencies and . Both frequencies are positive in the stated range. Their product eigenstates have energies
The parity of an oscillator level is . Consequently bosons allow even and fermions odd , while is unrestricted.
The bosonic ground state uses , and the fermionic ground state uses . The oscillator length in the relative mode is
Using the normalized Gaussian for each mode gives
Indeed by differentiating the Gaussian, so it is the normalized odd first excited state. The ground energies are and .
Choose normalized factors for a normalized product quantum state; this can always be done by reciprocal rescaling of its factors. Since the coordinate Jacobian has absolute value one,
If the supplied factors are not individually normalized, the general expression has an additional factor ; choosing normalized factors is the convention in the displayed formula.
For the ground states, put . Then and . Thus, for differentiable with suitable Gaussian integrability and vanishing boundary terms,
This is integration by parts, and every polynomial satisfies the required endpoint conditions. The relative-coordinate moments in even and odd oscillator ground states follow by substituting :
For odd , both expectations vanish by parity, so this is an equality of zeros rather than an increase in signed mean separation. The even moments show the physical difference. In particular and , so the fermionic root-mean-square particle separation is times the bosonic value. The fermionic probability density vanishes at coincidence , expressing Pauli exclusion principle in this spatial symmetry sector. This is an exchange constraint on the wave function, not an additional classical force. As approaches , the relative oscillator softens and its width diverges; the excluded endpoint would no longer have this normalizable oscillator ground state.
Use an expansion for the eigenstate continuing the nondegenerate level, with intermediate normalization :
Insert these expressions into the eigenvalue equation. At first order,
Taking the inner product with eliminates the left side by self-adjointness. Thus
For , projection onto instead gives
At second order, projecting the eigenvalue equation onto gives . Expand in the orthonormal energy basis and use self-adjointness of :
Nondegeneracy ensures the denominators for this level do not vanish; convergence and validity of the expansion are among the assumed perturbation-theory hypotheses.
For the cosine perturbation of the ground level in a one-dimensional box, write . The product-to-sum identity gives
so, with the given common normalization of the sine eigenfunctions,
The diagonal matrix element is , and the only nonzero off-diagonal matrix element out of the ground state is . Let . Since , the ground energy is
The second-order term is negative, as expected for a nondegenerate ground level: every excited-quantum state denominator is negative. The first-order shift is also negative for positive , because the ground-quantum state density is largest near the center, where this perturbing potential is negative.
Choose an orthonormal eigenbasis and the phase convention . Comparing coefficients of the eigenvalue equation at first order yields
Projecting onto and the other eigenvectors gives
Projection of the next-order equation onto gives
These are coefficients of the printed series, so denotes the quadratic coefficient rather than the second derivative itself. Without a phase convention an arbitrary purely imaginary multiple of can be added to the first vector correction. Continuous spectrum, if present, requires the corresponding spectral integral; the oscillator has a discrete complete eigenbasis.
Put and let denote the ground-state density. Then and . Because , integration by parts yields
Thus the two first-order shifts are
The first is the supplied ground-state expression; the second follows because the excited-state density is , so .
Subtracting, and using , gives
The bracket is zero at , tends to one at infinity, and has derivative . Therefore the first-order predicted level gap is
For every it becomes negative for all sufficiently large , crossing when . It is still positive at : the stated conclusion must be read with the large- regime, rather than for every interval width.
For the inner potential curves downward, placing a central barrier between two symmetric minima at . The even unperturbed ground state has its greatest density at the central barrier, while the odd first excited state has a node there and is less penalized. This explains the relative first-order shifts. A negative predicted gap signals failure of that perturbation approximation, not inversion of the exact lowest two states: the true one-dimensional ground state remains nodeless and even, with the odd state above it. At a high barrier the actual low levels instead form a close double-well pair. The apparent level crossing from a finite-interval oscillator perturbation is useful precisely as a diagnostic of the approximation's range.
Let and take an observable with no explicit time dependence. In the Schrödinger picture, and . In the Heisenberg picture, and . For the interaction picture choose a time-independent splitting , put , and define
Then and . Unitarity gives the identical expectation in all three descriptions:
Different choices of the split interpolate between pictures; makes the state constant, while gives the Schrödinger description.
Differentiate to obtain the Heisenberg equation of motion
For an explicitly time-dependent observable there is additionally . Thus is constant. In a normalized energy eigenstate, , so the expectation of its Heisenberg derivative vanishes whenever the products are defined.
For the harmonic oscillator, the canonical commutator gives
The last identity follows from the operator product rule without commuting and . Although is not itself self-adjoint, the same calculation can be applied to the self-adjoint dilation observable and gives the same derivative.
Stationarity of the three expectations gives and . Substitution into yields the quantum virial theorem
The vanishing means make the variances equal to the second moments, so
This satisfies the position-momentum Heisenberg uncertainty relation, with equality only for the ground state.
For bound hydrogen atom states, the radial wave function is regular and finite at the origin, and decays at infinity so that . Equivalently the reduced radial function has and is square integrable on the half-line. A singular branch is not an admissible regular Coulomb eigenfunction; its derivative energy diverges and it introduces an origin singularity absent from the Hamiltonian domain.
Write , so . Multiplication by turns the radial equation into
Since and , substitution gives
Choose to remove the constant coefficient and factor out the decaying exponential. For , the lowest power has coefficient , so . The behavior would give , violating regularity; choose .
Matching successive powers then yields
A nonterminating tail eventually has one sign, and its coefficient ratio is asymptotic to . More precisely, for any , the ratio is eventually at least . Its same-sign tail consequently dominates a positive constant times the exponential series of rate , up to finitely many terms. The factor cannot then make decay. Thus square integrability forces termination.
If the last nonzero term is , termination requires . Therefore
For , , is proportional to , and
The radial volume element is , so the mean radius is the ratio of the radius-weighted norm integral to the norm integral. With , the common angular and normalization factors cancel:
In the ground state .
A permutation of identical particles multiplies a fermionic state by ; a bosonic state is invariant. Particle exchange keeps fixed and sends to . Consequently the spatial wave function is even in for the stated bosonic model and odd for the stated fermionic model. This assumes no additional spin variables in the supplied model; exchange of full particle states is the underlying rule.
The coordinate change is orthogonal, with unit Jacobian determinant, so the kinetic energy becomes
on the square with zero boundary values. Product states have energy
The one-dimensional eigenfunction is even for odd and odd for even . Bosons therefore allow odd , whereas fermions require even . The lowest bosonic pair is ; its first excited pair is . The lowest fermionic pair is . Thus
The printed bosonic ground-energy claim omits the factor ; the value above follows directly from the supplied one-dimensional spectrum and kinetic energy.
The separation is . The normalized factor integrates out. In the fermionic ground state, the relative-coordinate density is , giving
For the bosonic ground state it is , giving
Both integrals follow by replacing squared trigonometric functions by their constant and cosine parts and integrating once by parts. Hence
and the difference is . The odd relative state vanishes at coincidence, which increases its expected separation.
Choose an orthonormal eigenbasis and the phase convention . Comparing coefficients of the eigenvalue equation at first order yields
Projecting onto and the other eigenvectors gives
Projection of the next-order equation onto gives
These are coefficients of the printed series, so denotes the quadratic coefficient rather than the second derivative itself. Without a phase convention an arbitrary purely imaginary multiple of can be added to the first vector correction. Continuous spectrum, if present, requires the corresponding spectral integral; the oscillator has a discrete complete eigenbasis.
Put and let denote the ground-state density. Then and . Because , integration by parts yields
Thus the two first-order shifts are
The first is the supplied ground-state expression; the second follows because the excited-state density is , so .
Subtracting, and using , gives
The bracket is zero at , tends to one at infinity, and has derivative . Therefore the first-order predicted level gap is
For every it becomes negative for all sufficiently large , crossing when . It is still positive at : the stated conclusion must be read with the large- regime, rather than for every interval width.
For the inner potential curves downward, placing a central barrier between two symmetric minima at . The even unperturbed ground state has its greatest density at the central barrier, while the odd first excited state has a node there and is less penalized. This explains the relative first-order shifts. A negative predicted gap signals failure of that perturbation approximation, not inversion of the exact lowest two states: the true one-dimensional ground state remains nodeless and even, with the odd state above it. At a high barrier the actual low levels instead form a close double-well pair. The apparent level crossing from a finite-interval oscillator perturbation is useful precisely as a diagnostic of the approximation's range.
Let and take an observable with no explicit time dependence. In the Schrödinger picture, and . In the Heisenberg picture, and . For the interaction picture choose a time-independent splitting , put , and define
Then and . Unitarity gives the identical expectation in all three descriptions:
Different choices of the split interpolate between pictures; makes the state constant, while gives the Schrödinger description.
Differentiate to obtain the Heisenberg equation of motion
For an explicitly time-dependent observable there is additionally . Thus is constant. In a normalized energy eigenstate, , so the expectation of its Heisenberg derivative vanishes whenever the products are defined.
For the harmonic oscillator, the canonical commutator gives
The last identity follows from the operator product rule without commuting and . Although is not itself self-adjoint, the same calculation can be applied to the self-adjoint dilation observable and gives the same derivative.
Stationarity of the three expectations gives and . Substitution into yields the quantum virial theorem
The vanishing means make the variances equal to the second moments, so
This satisfies the position-momentum Heisenberg uncertainty relation, with equality only for the ground state.
A permutation of identical particles multiplies a fermionic state by ; a bosonic state is invariant. Particle exchange keeps fixed and sends to . Consequently the spatial wave function is even in for the stated bosonic model and odd for the stated fermionic model. This assumes no additional spin variables in the supplied model; exchange of full particle states is the underlying rule.
The coordinate change is orthogonal, with unit Jacobian determinant, so the kinetic energy becomes
on the square with zero boundary values. Product states have energy
The one-dimensional eigenfunction is even for odd and odd for even . Bosons therefore allow odd , whereas fermions require even . The lowest bosonic pair is ; its first excited pair is . The lowest fermionic pair is . Thus
The printed bosonic ground-energy claim omits the factor ; the value above follows directly from the supplied one-dimensional spectrum and kinetic energy.
The separation is . The normalized factor integrates out. In the fermionic ground state, the relative-coordinate density is , giving
For the bosonic ground state it is , giving
Both integrals follow by replacing squared trigonometric functions by their constant and cosine parts and integrating once by parts. Hence
and the difference is . The odd relative state vanishes at coincidence, which increases its expected separation.
In the scalar two-particle model, the fermionic exchange symmetry and bosonic exchange symmetry conditions are
For particles with spin, exchange acts on all their labels; the stated coordinate-only model fixes the spatial symmetry sector. Define . Equal masses make the kinetic operator invariant under exchange, and the assumed potential is invariant too, so . Therefore implies . The components
are respectively symmetric and antisymmetric eigenfunctions whenever nonzero. Their sum is the original nonzero quantum state, so at least one is nonzero. An eigenspace may contain both sectors if the energy is degenerate.
The normal modes of two harmonically coupled identical particles provide the separation. The coordinate transformation to is orthogonal, with absolute Jacobian one. Exchanging the particles leaves fixed and changes to . Hence bosonic quantum states are even and fermionic quantum states odd in the relative coordinate. The chain rule gives
Also and . Combining the two trapping potentials with the interaction therefore gives the separated Hamiltonian operator
These are independent oscillators of frequencies and . Both frequencies are positive in the stated range. Their product eigenstates have energies
The parity of an oscillator level is . Consequently bosons allow even and fermions odd , while is unrestricted.
The bosonic ground state uses , and the fermionic ground state uses . The oscillator length in the relative mode is
Using the normalized Gaussian for each mode gives
Indeed by differentiating the Gaussian, so it is the normalized odd first excited state. The ground energies are and .
Choose normalized factors for a normalized product quantum state; this can always be done by reciprocal rescaling of its factors. Since the coordinate Jacobian has absolute value one,
If the supplied factors are not individually normalized, the general expression has an additional factor ; choosing normalized factors is the convention in the displayed formula.
For the ground states, put . Then and . Thus, for differentiable with suitable Gaussian integrability and vanishing boundary terms,
This is integration by parts, and every polynomial satisfies the required endpoint conditions. The relative-coordinate moments in even and odd oscillator ground states follow by substituting :
For odd , both expectations vanish by parity, so this is an equality of zeros rather than an increase in signed mean separation. The even moments show the physical difference. In particular and , so the fermionic root-mean-square particle separation is times the bosonic value. The fermionic probability density vanishes at coincidence , expressing Pauli exclusion principle in this spatial symmetry sector. This is an exchange constraint on the wave function, not an additional classical force. As approaches , the relative oscillator softens and its width diverges; the excluded endpoint would no longer have this normalizable oscillator ground state.
Use an expansion for the eigenstate continuing the nondegenerate level, with intermediate normalization :
Insert these expressions into the eigenvalue equation. At first order,
Taking the inner product with eliminates the left side by self-adjointness. Thus
For , projection onto instead gives
At second order, projecting the eigenvalue equation onto gives . Expand in the orthonormal energy basis and use self-adjointness of :
Nondegeneracy ensures the denominators for this level do not vanish; convergence and validity of the expansion are among the assumed perturbation-theory hypotheses.
For the cosine perturbation of the ground level in a one-dimensional box, write . The product-to-sum identity gives
so, with the given common normalization of the sine eigenfunctions,
The diagonal matrix element is , and the only nonzero off-diagonal matrix element out of the ground state is . Let . Since , the ground energy is
The second-order term is negative, as expected for a nondegenerate ground level: every excited-quantum state denominator is negative. The first-order shift is also negative for positive , because the ground-quantum state density is largest near the center, where this perturbing potential is negative.