Assume a stable, lossless elastic body with the usual symmetry of the elasticity tensor and boundary conditions that eliminate the surface terms in integration by parts, such as a traction-free outer surface. Its elastic stiffness operator is then self-adjoint. When density varies spatially, the precise eigenproblem is generalized:
Here abbreviates the pair of mode labels. Equivalently, is a self-adjoint operator in the mass inner product. Stability makes real and nonnegative. Modes at different eigenvalues are orthogonal, and an orthonormal basis can be selected within each degenerate eigenspace. Completeness permits expansion of a suitable displacement field in these mass-weighted elastic normal modes.
Insert the expansion and project onto . Mass normalization diagonalizes both the acceleration term and the restoring term. For a symmetric stress glut tensor supported away from the boundary,
The symmetry of the stress glut tensor removes the antisymmetric part of the displacement gradient, leaving the strain. The result is one independent forced oscillator per mode, with the stated excitation integral. If the modes instead have mass norm , that integral is divided by . A source touching the boundary requires the corresponding surface forcing to be retained rather than silently dropping it.
Rigid translations and rotations can be zero-frequency modes of a free body. Their strain vanishes, so an internal symmetric seismic moment tensor does not excite them through this coupling. Attenuation, radiative boundaries or other non-self-adjoint effects require modifications of the simple conservative expansion.
A real symmetric matrix has three real eigenvalues and a complete orthonormal basis of eigenvectors. For a stable elastic material, strong ellipticity makes for every nonzero polarization, so its eigenvalues are positive squared wave speeds. There are therefore three orthogonal plane-wave polarizations in a given direction, with three potentially distinct speeds in an anisotropic medium. Degenerate eigenvalues allow arbitrary orthonormal combinations within their eigenspace; they do not remove polarization degrees of freedom. General anisotropic modes need not be exactly longitudinal or transverse.
For an isotropic medium let . Contract the isotropic stiffness with :
Using
gives
For the longitudinal projector has eigenvalue one, so : this is the P wave. For either of two independent the projector vanishes, so : these are two degenerate transverse S wave polarizations. An isotropic solid has one P speed and one S speed, but three polarization modes: one longitudinal and two transverse. A fluid limit with zero shear modulus has no propagating S wave, so the positive-speed conclusion requires a solid with positive shear stiffness.
An arbitrary orthonormal basis does not have the printed property. For example on with , take the usual normalized constant and linear Legendre polynomials and swap their labels . The resulting family is still an orthonormal basis but has one zero, rather than zero. The necessary intended hypothesis is that has degree , or equivalently that the basis is obtained by orthogonalizing in that order.
Under this hypothesis, is orthogonal to every polynomial of degree less than . Let be its sign-changing zeros in and put . If , then has a constant nonzero sign except at finitely many points: each interior sign change has been canceled, and all remaining zeros have even multiplicity or occur at endpoints. Since , its integral cannot vanish. But orthogonality to , of degree , says that integral is zero, a contradiction. Thus . Since the polynomial has degree , it follows that
This proves the requested conclusion in its standard intended setting and explains why it does not follow from the literal basis statement alone.
Use an orthonormal basis of stationary states and project the Time-dependent Schrödinger equation onto state 2 after removing its free-evolution phase. The stationary Hamiltonian terms cancel the derivatives of those phases, leaving
Define and . With the supplied time-dependent quantum perturbation,
and therefore . The state phases may be chosen so and are real for this single driven pair; otherwise probabilities depend on and the conjugate matrix element appears in the equation for . Our is the resonant Rabi angular frequency in the usual convention whose rotating-wave off-diagonal Hamiltonian is .
For a field-free atom with symmetry under spatial reflection, each selected nondegenerate stationary orbital can be chosen with definite parity. Since is odd, , so ; the same reasoning gives . Being an energy eigenstate alone is not sufficient. As an explicit mathematical counterexample, a displaced quantum harmonic oscillator with potential proportional to has energy eigenstates with , giving when . The vanishing used in the atomic model rests on its parity assumption, not merely on stationarity.
Why degenerate perturbation theory is needed. If several unperturbed states have equal or nearly equal energy, a perturbation can mix them at leading order. In that subspace, diagonalize the perturbation matrix rather than using nondegenerate formulas with small energy denominators. The resulting eigenvectors identify the combinations selected by the coupling, and the eigenvalues give the leading splitting. Other remote states can then be included perturbatively.
For the linear combination of atomic orbitals description of molecular hydrogen, equivalent atomic states on the two nuclei supply the nearly degenerate starting functions. In an orthonormal two-state model, equal diagonal energy and real hopping give and symmetric/antisymmetric combinations. For actual overlapping atomic functions with overlap and Hamiltonian coupling , one instead solves a generalized eigenvalue problem:
The bonding state has enhanced density between the nuclei and the antibonding state a separating node. Two opposite-spin electrons occupying the bonding molecular orbital describe the simplest closed-shell hydrogen-molecule bond. Electron-electron interaction and nuclear repulsion are needed to calculate a realistic total binding energy; the two-state splitting alone is not the full molecular energy.
In the nearly-free electron model, the analogous degenerate states are plane waves and at a Bragg scattering. A Fourier coefficient of the periodic potential couples them. At exact degeneracy , diagonalizing their two-by-two matrix gives
The associated standing waves place electronic density differently relative to the ionic potential. These are the same gap-opening combinations illustrated in Q1(b). The labels of the two starting basis states survive as mixed orbital or plane-wave character, rather than independent crossing eigenstates.
Origin of broad and narrow bands. Spatially extended s/p-derived orbitals have substantial overlap and therefore large hopping amplitudes and broad bands. More localized d orbitals overlap less strongly and produce narrower bands. A multiorbital tight-binding calculation assigns the on-site orbital energies and hopping matrices, forms Bloch sums, and diagonalizes the resulting matrix at each wavevector. Different hopping ranges and orbital symmetry determine the bandwidths and allowed interband coupling. The two-band description retains one broad combination and one nearly flat d-derived combination; a real transition metal contains several d orbitals and more complicated dispersions.
Hybridized eigenvalues and eigenstates. Let , in an orthonormal basis. Hermitian operator fixes the reverse coupling to be . Projection onto the two components gives
Solving this quadratic yields the band hybridization dispersion
For nonzero , one eigenvector representation is , followed by normalization. Thus the wavefunctions exchange broad-band and d-band character through the avoided crossing; the levels are equal mixtures at the uncoupled crossing.
At , the parabola crosses the horizontal level at , with . For small nonzero , the curves avoid crossing with minimum direct separation . The lower branch follows the parabola below the crossing and flattens toward above it; the upper does the opposite. The lower branch satisfies everywhere and tends to from below as , while the upper branch always lies above . This is the perfectly flat-band continuum approximation, with zone-boundary intersections excluded as requested.
Figure 1.
Uncoupled and weakly hybridized broad/flat bands, with the shifted Fermi radius and small lower-band slope
. Details.
Fixed particle number and the larger Fermi sphere. Denote the uncoupled broad-band Fermi radius by to distinguish it from the new one . With two spin states, the broad-band number density at is . The stipulated equal population in the flat sector makes the total density twice that value. At zero temperature and any nonzero hybridization, all occupied states fit into the monotonic lower branch below , while the upper branch is empty. Therefore
This is the stated factor increase. It uses fixed total particle number, equal spin counting, an exactly flat unhybridized band and enough available states below any Brillouin-zone restriction. In generic pairs of dispersive bands both hybridized pockets can remain occupied; then Fermi-volume conservation in two hybridized electron bands fixes a sum of volumes rather than this one radius. The exactly flat band is degenerate at , so its initial occupation must be specified, as it is here.
Fermi-velocity suppression. Set . The exact derivative of the lower branch is
At , and . For , the square bracket divided by two is . Since group velocity is and the broad-band reference velocity is ,
so the flat-band hybridization Fermi-velocity suppression is
The reference velocity is that of the original broad-band Fermi sphere, not the broad-band slope at the larger ; omitting the radius change loses the factor .
The low-temperature qualification becomes more stringent as : the new chemical potential approaches with , and the relevant thermal energy must be small compared with this hybridization scale. At fixed nonzero temperature the singular flat-band redistribution is not automatically resolved for arbitrarily small coupling. A small but finite narrow-band dispersion can also change the occupation topology.
Density of states and magnetism. For an isotropic three-dimensional branch with spin degeneracy two,
A small Fermi velocity therefore produces a large density of states. The localized, partially filled d-derived bands in iron, cobalt and nickel place many states close to the Fermi level; broad s/p-derived conduction bands in copper, silver and gold coexist with filled d bands lying below it. This explains the substantially larger Fermi-level density of states of the former group within the band picture. An exact factor of ten requires the actual band parameters and is not fixed by the two-band toy model.
A high density of states lowers the kinetic-energy cost of spin polarization. A repulsive exchange interaction can then satisfy the Stoner criterion and stabilize ferromagnetism. With a single-spin density of states and an on-site interaction normalization, the criterion is ; with spin-summed , it is . The large d-state contribution favors this instability in Fe, Co and Ni. The noble metals do not satisfy the corresponding instability condition in the same ordinary state; this does not imply that they have no weak magnetic response whatsoever.
The quantized field expansion in the complete orthonormal basis of orbitals is
The complex conjugation in the creation operator expansion is essential for complex orbitals. Indeed, creates the wavefunction . The resolution of the identity in an orthonormal basis gives
recovering the canonical commutation relation and the spatial Dirac delta function.
For a nonzero quantum state and a self-adjoint operator , the expectation value and standard deviation of its measurement are
The squared deviation is also called the variance of the observable. All displayed products are understood on quantum states for which the relevant moments exist. Self-adjointness gives , so is real. Expanding the squared norm gives the variance expression. A norm is nonnegative and is zero exactly for the zero vector, hence precisely when . Thus zero dispersion is equivalent to being an eigenstate.
For bounded , the operator exponential is the norm-convergent power series
For a general unbounded self-adjoint Hamiltonian operator, the spectral theorem defines the same notation by
This definition does not require the power series to converge on every quantum state. complex conjugation of the spectral multiplier gives , and multiplication of the phases gives . Thus is unitary, preserves the quantum state norm, and has .
For initial data in the domain of , differentiating the spectral expression yields . Consequently
solves the Schrödinger equation with the prescribed initial quantum state. Uniqueness follows by differentiating : the two terms cancel, leaving the constant .
In the two-dimensional energy basis, expand the initial quantum state as . Each energy eigenvector receives its own phase under the operator exponential, giving
This is the general solution because every initial vector has a unique basis expansion.
In that orthonormal basis the other observable has the real symmetric matrix
Its conjugate transpose equals itself, so it is self-adjoint. Also and , giving eigenvalues and . Direct substitution gives the normalized orthogonal eigenvectors
An irrelevant global phase may multiply either vector. With the chosen lower eigenstate initially,
The Born rule says that the probability for the higher eigenstate is . Its amplitude is . Using gives
This is the transition probability for a rotated two-level observable. Its time dependence comes from the relative phase between two energy eigenstates. If their energies coincide, or if the measured observable has the energy eigenvectors as its eigenvectors, this transition probability is zero at all times.
Use the Dirac notation convention that the inner product is linear in the ket. Orthonormality of the computational basis gives
The finite geometric sum satisfies if in , and zero otherwise: in the second case it equals . Therefore
There are such orthonormal vectors in an -dimensional space, so they form a basis. The inverse expansion is verified by the same sum:
This is the unitary discrete Fourier transform and its inverse.
For the basis-copying isometry, the images are orthonormal, so is a linear isometry, with . Its matrix elements give
Applying the definition of the adjoint operator, the coefficient of in is exactly this expression. Thus
Equivalently . The adjoint of basis copying acts as pointwise multiplication of coefficient functions.
For the Fourier transform of a basis-copying isometry, the normalization matters:
Hence . Taking adjoint matrix elements, or expanding both output factors in the inverse Fourier basis, yields
The printed formula is missing the factor . There are mutually orthogonal terms in its sum, so without that factor its right side has norm , whereas its left side has norm one because is an isometry. The formula above is the normalized identity consistent with all the preceding definitions. For the distinction disappears, but the no-cloning assertion is substantive for .
The normalized output is not . Its coefficient matrix pairs every Fourier label with ; tracing out either factor gives . Thus it is a maximally entangled state, while two clones of a pure Fourier quantum state would have pure reduced quantum states. A copier for the computational basis therefore does not copy the Fourier basis.
More generally, suppose a linear isometry with a fixed blank input could clone every normalized quantum state. Its restriction to would define a linear map with on every computational basis quantum state. Linearity forces , which has just been shown to fail on Fourier quantum states. This proves the no-cloning theorem in the pure-quantum state isometric setting.
The inner-product proof makes the obstruction independent of the chosen basis. If an isometry cloned two quantum states with overlap , preservation of inner products would give , or, allowing irrelevant output phases, . Distinct nonorthogonal rays have , which is impossible. Even allowing an output environment does not help: unitary evolution would give , the same contradiction. Arbitrary unknown quantum states cannot be cloned, although any fixed orthonormal basis can be copied and a one-dimensional quantum state space is trivial.
Inside the infinite well, the time-independent Schrödinger equation is with Dirichlet endpoints. Negative or zero energy gives no nonzero solution satisfying both endpoints. For , the sine solution requires . Thus
The normalization follows from . These functions form an orthonormal basis. Substitute the expansion into and take the inner product with each basis vector: orthonormality gives , equivalently
For a general infinite expansion this is interpreted in the usual Hamiltonian domain or its unitary evolution; the particular state below has only two terms.
Put . The identity gives , , all others zero. Their squared magnitudes sum to one. Hence
The evolved state is . Its position probability includes an interference term with frequency . Specifically,
The three required integrals are , and , respectively. Therefore
The energy expectation is constant while the spatial probability oscillates, because relative energy phases affect interference but not the energy probabilities.
Use the Dirac notation convention that the inner product is linear in the ket. Orthonormality of the computational basis gives
The finite geometric sum satisfies if in , and zero otherwise: in the second case it equals . Therefore
There are such orthonormal vectors in an -dimensional space, so they form a basis. The inverse expansion is verified by the same sum:
This is the unitary discrete Fourier transform and its inverse.
For the basis-copying isometry, the images are orthonormal, so is a linear isometry, with . Its matrix elements give
Applying the definition of the adjoint operator, the coefficient of in is exactly this expression. Thus
Equivalently . The adjoint of basis copying acts as pointwise multiplication of coefficient functions.
For the Fourier transform of a basis-copying isometry, the normalization matters:
Hence . Taking adjoint matrix elements, or expanding both output factors in the inverse Fourier basis, yields
The printed formula is missing the factor . There are mutually orthogonal terms in its sum, so without that factor its right side has norm , whereas its left side has norm one because is an isometry. The formula above is the normalized identity consistent with all the preceding definitions. For the distinction disappears, but the no-cloning assertion is substantive for .
The normalized output is not . Its coefficient matrix pairs every Fourier label with ; tracing out either factor gives . Thus it is a maximally entangled state, while two clones of a pure Fourier quantum state would have pure reduced quantum states. A copier for the computational basis therefore does not copy the Fourier basis.
More generally, suppose a linear isometry with a fixed blank input could clone every normalized quantum state. Its restriction to would define a linear map with on every computational basis quantum state. Linearity forces , which has just been shown to fail on Fourier quantum states. This proves the no-cloning theorem in the pure-quantum state isometric setting.
The inner-product proof makes the obstruction independent of the chosen basis. If an isometry cloned two quantum states with overlap , preservation of inner products would give , or, allowing irrelevant output phases, . Distinct nonorthogonal rays have , which is impossible. Even allowing an output environment does not help: unitary evolution would give , the same contradiction. Arbitrary unknown quantum states cannot be cloned, although any fixed orthonormal basis can be copied and a one-dimensional quantum state space is trivial.
The operator is the midpoint parity operator about . The angle-subtraction identity gives
Consequently . The sine functions form a complete orthonormal basis of , so the simultaneous diagonal action implies commutation on the Hamiltonian operator's operator domain. More directly, preserves the Dirichlet boundary conditions and ; hence whenever is defined. This checks the domain as well as the differential expressions.
For arbitrary , use in the inner product:
Also , so is bounded and defined everywhere. The identity therefore proves , with no extra domain restriction. In particular is a self-adjoint operator; also makes it a unitary operator.
The requested energy eigenvalue is . By the Born rule, its probability amplitude is the inner product . Put and use :
The first integral is ; the second is zero under . Therefore
For the time-independent Hamiltonian operator, expand in its orthonormal basis of energy eigenstates:
Unitary time evolution changes to , whose modulus is unchanged. Thus the same energy measurement probability holds at every time, even though relative quantum phases and other measurements can change.
Starting from , part (i) gives and . Apply the angular momentum raising operator explicitly:
A second application gives
Since commutes with , both raised functions retain the eigenvalue . Their eigenvalues follow either by differentiating their dependence or from . Thus three valid unnormalized functions, in the requested order, are
For later Born rule calculations, normalize with the solid angle measure . Their squared norms are , , , respectively. For example and . A convenient orthonormal basis is therefore
Orthogonality follows from the distinct Fourier factors in . An overall phase of each basis function is arbitrary; these choices need not impose the usual phase convention for the spherical harmonics.
For a momentum eigenstate with eigenvalue , the equation has solution . The periodic boundary condition imposes , so . The wavefunction normalization gives . Choosing a convenient global phase yields
These momentum eigenstates form an orthonormal basis, the Fourier basis for the particle on a circle:
Here is the Kronecker delta.
The identity gives the momentum eigenstate expansion
Using the orthonormal basis from part (a), the wavefunction normalization is
Hence . The wavefunction normalization leaves a global phase free; the positive real choice used in the requested expansion gives
The two nonzero eigenvalues of the momentum operator have the same energy eigenvalue . Under unitary time evolution, their coefficients acquire the same dynamical phase. With ,
At , recovers the initial wavefunction. Its probability density, useful below, is
Write and . The canonical commutation relations for the creation and annihilation operators give
For example, . The expression for from part (b), with distinct modes reordered, then yields
Thus is an invariant subspace, and the matrix of in the ordered orthonormal basis is
Its characteristic polynomial is , giving the eigenvalues and normalized eigenstates
Indeed, and by the assumed orthonormality. Both eigenstates remain in the eigenspace.
In the ordered orthonormal basis , the Hamiltonian operator has matrix
where is a Pauli matrix. Its symmetric and antisymmetric eigenvectors give
The energy eigenstates are normalized and orthogonal; each energy eigenvalue is nondegenerate. Their full stationary states are and . Since they form an orthonormal basis, the general solution to the Time-dependent Schrödinger equation is
For a normalized quantum state, ; the constants are determined by its initial inner products with .
A stationary state has . Substitution into the Schrödinger equation gives the energy eigenvalue equation
The trial wavefunction satisfies it with . The periodic boundary condition requires , hence , . The wavefunction normalization is , so a convenient common global phase gives the orthonormal basis
Indeed, . This is the free particle spectrum on a circle. The ground state has energy zero and is nondegenerate. Each positive energy level , , has energy eigenspace and quantum degeneracy two. Real sine and cosine combinations give another basis of the same energy eigenspace.
The orthonormal basis makes the squared norm equal to the sum of squared expansion coefficients:
Choose a positive real wavefunction normalization constant, fixing an irrelevant global phase:
As a direct check, .
Put and retain the global phase from the preceding Lüders rule update. Since , the same orthonormal basis diagonalizes the new Hamiltonian operator, with
In particular, . Applying unitary time evolution from therefore gives
This is rigid translation from a momentum term in the Hamiltonian: the position probability density moves with velocity . The plus sign in follows directly from the negative sign of . At the expression agrees exactly with the preceding post-measurement state.