A linear spline is a continuous function whose restriction to every interval is a polynomial of polynomial degree at most one. With and , linear interpolation gives
Integrating the two linear polynomials and adding the contributions gives
This is the composite trapezoidal rule applied to the nodal values, and it is exact for the linear spline itself, including nonuniform spline knots.
A cubic spline on this partition of an interval is a function that restricts to a polynomial of polynomial degree at most three on every interval . Thus its second derivative is continuous and piecewise of polynomial degree at most one: is a linear spline on the same spline knots. Its third derivative is constant on each open interval and can jump across the spline knots; its fourth derivative vanishes inside each open interval.
Put . Matching interpolation data and endpoint derivatives gives
The endpoint slope constraints make a clamped cubic spline. The decisive step in its minimum roughness property of a clamped cubic spline is the orthogonality identity
Prove it separately on each interval. Two applications of integration by parts, using the vanishing fourth derivative of the cubic piece, give
The second boundary term is zero because vanishes at both endpoints of this interval. Sum over . At each interior spline knot, the two values of agree because both factors are continuous, so the contributions cancel. The remaining outer boundary terms vanish because is zero at both outer endpoints. This proves the identity.
Expanding the square now gives the stronger exact equality
The last integral is nonnegative, proving the required inequality. It measures the excess second derivative roughness penalty of over .
The argument applies directly to twice continuously differentiable competitors. More generally it holds when is an absolutely continuous function and is square-integrable, the usual finite-energy class for this second derivative roughness penalty. Mere existence of pointwise second derivatives does not by itself guarantee that all displayed integrals exist; the variational statement is understood for admissible competitors with this regularity.
Here and . Since , the solution is nondecreasing, so . In fact on , which also bounds the solution and ensures it extends across this entire interval. The smooth right-hand side makes twice continuously differentiable, with second derivative
For and ,
so . The subtracted term in the first expression is nonnegative, giving the useful bound
The integral form of the Taylor remainder now gives
Therefore the normalized local truncation error satisfies the stronger estimate
This proves the requested bound for , and also for , which will be needed to start the global error estimate. For the stated range is empty, but the estimate at still applies.
Use for the sampled exact solution, and let . The Dirichlet boundary conditions imply . The definition of the truncation error gives the exact discrete equation
Subtracting it from the numerical equation therefore gives
The sign on the right is positive because was defined as the difference approximation minus the exact second derivative. Multiply by , sum over the interior nodes and apply discrete summation by parts:
Again . By Young's inequality for products, . Hence
No fourth derivative is needed for this step: the assumed twice continuous differentiability suffices to define and obtain the discrete energy estimate.
Set and . The definition of pushforward measure gives the confinement energy . The chain rule and differentiation under the integral sign, whenever justified, give
For example, bounded Hessian matrix is sufficient: it gives , and the first two differentiated integrands are bounded by . The dominated convergence theorem applies because has finite second absolute moments. Compactly supported endpoints also suffice because all interpolating points lie in one compact set.
The printed growth assumption alone does not ensure a classical second derivative. Here is a counterexample within the stated assumptions. On the line take the bounded nonnegative smooth function
and the probability measures , . Both have finite second absolute moments. Their translation transport plan is optimal: its cost is one, while every coupling has cost at least the square of its mean displacement, also one. At , , so satisfies . Each summand is nonnegative, and the Fatou lemma gives
Thus the requested classical identity requires an additional integrability assumption on the Hessian matrix; quadratic growth controls the energy but not its second derivative.
For a confinement potential that is a -strongly convex function, the derivative formula, where valid, yields
The underlying displacement convexity conclusion is valid under the printed assumptions without that extra differentiation hypothesis. Apply convexity of pointwise and integrate:
The same argument on every subinterval makes convex, so the second derivative lower bound also holds in the sense of distributions.
Use an independent copy of under the product measure . Write , , and
Since the pushforward measure of under is , the interaction energy is
Two applications of the chain rule give
The factor is retained. This classical identity requires differentiation under the integral sign to be justified, just as in part (b). Bounded Hessian matrix of is sufficient, since is integrable; compactly supported endpoints are another sufficient case. The printed quadratic-growth condition alone does not provide this domination.
The failure can occur for the interaction energy too. Take the even interaction potential and replace the endpoint probability measures in part (b) by and . Keep the origin fixed and translate every other atom by one. This coupling is increasing on the line, hence is optimal: its assigned values extend to a nondecreasing transport map, which is the gradient of a convex function. Differences between translated atoms remain integers, so their mutual interaction vanishes. Only interactions with the origin contribute, giving , with from part (b). It therefore also lacks a finite classical second derivative at .
Set , choose for a negative bound-state energy, and write . Multiplying the radial equation by gives
For , its second derivative is . Substitution cancels the two terms and gives
For the physical hydrogen problem, the angular eigenvalue has a nonnegative integer. Regularity at the origin selects the Frobenius exponent , rather than the singular branch. Put
The equation for the series factor is , and coefficient comparison yields
The regular confluent-hypergeometric solution generically grows like in this series factor; after the extracted it is not normalizable. A bound state requires termination at some degree , namely . Thus is an integer greater than , and
Regularity, normalizability and the integer angular index are the physical conditions selecting this spectrum; the differential equation without those conditions would admit many other solutions.
For , necessarily and . With ,
A normalized spatial ground state is . In spherical coordinates the radial probability has weight . Constants and the angular integral cancel in the tail ratio. The supplied integral with gives
For a monochromatic wave, a constant phase moves at phase velocity . For a narrow wave packet around , expansion shows that its envelope moves at group velocity . The envelope interpretation requires a sufficiently narrow spectrum and weak distortion; it is not a general identification with a causal signal front. Since and ,
For the gravity-capillary wave, put and take . Direct differentiation gives
Thus when , or
At this wavelength the gravity and surface-tension restoring terms contribute equally. Also with positive second derivative: this is the minimum phase speed of a gravity-capillary wave, . Locally the carrier crests and narrow envelope travel together. The medium has not become nondispersive: there, so a finite wave packet can still spread. In the gravity-dominated limit ; in the capillary-dominated limit it tends to .
The lower mass has coordinates . Its squared speed is . Adding the bead's kinetic energy gives the kinetic part of the supplied Lagrangian. Equal spring prestresses give spring energy up to a constant: the two squared extensions are proportional to . The gravitational potential is . Thus has exactly the stated form, with constant energy offsets discarded.
Since has no explicit time dependence, the conserved energy is
The two Euler–Lagrange equations are
At equilibrium, and . There are two geometrically distinct positions, modulo . The downward one has positive potential Hessian and is stable; the inverted one has a negative angular curvature and is unstable.
Keeping only quadratic terms about the downward equilibrium gives
For unit parameters, the mass and stiffness matrices are and . The equation is . Therefore the normal angular frequencies are
Here and . This implementation uses the undamped Newton step, checks a stationary point's curvature, and reports failure on a two-cycle or exhausted iteration limit:
R
newton_min <- function(x0, tol = 1e-10, maxit = 100L) {
  fp <- function(x) 4*x^3 - 12*x^2 + 4*x + 12
  fpp <- function(x) 12*x^2 - 24*x + 4
  x <- x0
  trace <- x
  for (k in seq_len(maxit)) {
    g <- fp(x)
    h <- fpp(x)
    if (abs(g) <= tol) {
      return(list(x = x, converged = h > 0,
                  reason = if (h > 0) "minimum" else "not a strict minimum",
                  trace = trace))
    }
    if (!is.finite(h) || abs(h) <= .Machine$double.eps)
      stop("Newton step has zero or invalid curvature")
    next_x <- x - g/h
    if (!is.finite(next_x)) stop("Nonfinite Newton iterate")
    trace <- c(trace, next_x)
    n <- length(trace)
    if (n >= 3L && abs(trace[n] - trace[n - 2L]) <= tol*(1 + abs(next_x)))
      return(list(x = next_x, converged = FALSE,
                  reason = "two-cycle", trace = trace))
    x <- next_x
  }
  list(x = x, converged = FALSE, reason = "iteration limit", trace = trace)
}
A sufficiently close start near converges to the minimum. The derivative cubic has exactly one real root: after it is proportional to , whose local maximum and minimum are both positive, so it crosses zero only once, on the left. Since the quartic tends to in both directions and its curvature at that stationary point is positive, this is the unique global minimum. The function reports convergence rather than assuming that every starting point must reach it.
At , the derivative and curvature are , , so the next iterate is . At , they are , , so the next iterate is . Hence
The undamped algorithm does not converge to a minimum; it has an exact two-cycle. The implementation in (iii) detects this after returning to one and reports failure. This example illustrates why the local convergence result in (ii) does not justify global success.
The band effective mass is determined by the second derivative of the dispersion relation:
With the stated sign convention and , the band minimum is at . Expanding the cosine, or differentiating twice, gives
Comparison with a free electron's kinetic energy therefore requires
The hopping integral has units of energy. A negative would move the minimum to the edge of the Brillouin zone and give the same positive bottom-of-band effective mass with in this expression.
mass as band curvature. In a periodic potential, a weakly forced electron is usefully described by a wave packet confined to one energy band. Its group velocity is
Differentiating the velocity gives
This effective-mass tensor describes the band response, not a change of the electron's bare rest mass. Along a principal direction, a steep upward curvature gives a small positive mass and a flatter curvature a larger one. Near a band maximum the electron curvature and effective mass are negative; the corresponding missing-electron description uses positive electron hole masses. Anisotropy produces distinct principal masses, and strong nonparabolicity makes them momentum dependent. The single-band semiclassical description assumes fields weak and slowly varying enough to avoid substantial interband transitions.
Lattice symmetry and Bloch's theorem. Use the active spatial translation operator . A lattice-periodic scalar potential satisfies , while the kinetic term is translation invariant. Therefore . The lattice translations also commute with one another, so they can be diagonalized simultaneously with , including within a degenerate energy subspace.
For a common eigenstate, write . Unitarity gives , and the group law gives . On primitive Bravais vectors , choose . Every lattice vector is an integer combination of these generators, hence
The vector is defined modulo a reciprocal lattice vector. The band index labels the different energy eigenstates with the same translation character. Define . The phase factors cancel under a lattice translation, proving Bloch's theorem in its usual form:
This is the Translation-character proof of Bloch theorem; the commutator guarantees a basis of such states, even when an arbitrary superposition of different translation characters is not itself a translation eigenstate.
Periodic Hamiltonian. Acting once with momentum gives . Applying it again and cancelling the common plane-wave factor yields
The Bloch Hamiltonian acts on lattice-periodic functions in a unit cell. Expanding its square separates a zero-momentum Hamiltonian, a term linear in and an identity term quadratic in .
Expansion about the zone centre. Let , , and normalize all these states using a unit-cell inner product. For the real scalar Hamiltonian in the question, a nondegenerate zone-centre eigenfunction can be chosen real. Then
because opposite unit-cell faces cancel. Equivalently, time-reversal symmetry forbids a nonzero electric current in this nondegenerate spinless state. This explains why no linear energy term appears; it should not simply be omitted without a symmetry or extremum argument.
The first-order energy shift is therefore . In the second-order sum the quadratic term is proportional to the identity and has no off-diagonal matrix elements. Only the linear momentum vertex contributes. Second-order nondegenerate perturbation theory gives the momentum matrix-element expansion of band energy
Hermitian operator makes the two reciprocal matrix elements complex conjugates. All other periodic eigenstates at enter the sum. The remainder is even because time-reversal symmetry gives near this isolated state. At a degeneracy the denominators signal the need for degenerate perturbation theory instead.
mass ratio and the printed formula. Write . Differentiating the quadratic energy yields
For a specified unit direction , the resulting scalar mass ratio is
In an isotropic three-dimensional band, averaging equivalent directions gives
Coupling to lower bands contributes positively to inverse mass; coupling to higher bands contributes negatively. Their signs and matrix elements determine the actual curvature.
The original PDF prints . Taken literally as a three-dimensional Laplacian, this misses a factor of three for an isotropic scalar mass. The correct identities are
The printed expression would return even for the free dispersion . It is correct in one dimension, or if its second derivative is interpreted directionally. For completeness, its literal three-dimensional trace ratio would instead be ; that is the trace of the dimensionless inverse-mass tensor, not the usual scalar .
Complex differentiability gives , . Differentiating once more, for continuously differentiable first derivatives with the needed second derivatives, yields and . Thus both components satisfy Laplace's equation. The result is local on the domain of holomorphy; it makes no assertion across a branch cut.
For negative , the mean value theorem gives . In particular,
Since is continuous and strictly increasing, it vanishes at exactly one point . The positive second derivative makes a strictly convex function on the entire real line. Its derivative changes from negative to positive at , so is the unique global minimum. One may also use to verify coercivity.
In the endpoint-bracketing form of golden-section search, begin with , a width-one interval known to contain this unique minimum, and place the two standard interior probes. The attainable position accuracy is different from that for a simple root. Around , Taylor's theorem gives
Here the minimum value is nonzero and of order one: the lower quadratic bound gives , while . Ordinary relative round-off error in these function values therefore hides changes of order , once has that size. The function-value resolution near a nondegenerate minimum is consequently of order
Each golden-section search contraction multiplies the bracket width by . Using as the nominal target width gives
Unknown evaluation-error constants can change the actual stopping point; is the standard scale-based count. Requiring position accuracy from these function-value comparisons would disregard the quadratic flatness of the minimum. The same precision effect is documented for one-dimensional numerical minimization.[ref]
Insert the Poisson distribution probability generating function into the preceding bound:
For fixed , differentiate the exponent with respect to . Its derivative is , and its second derivative is , so its unique minimum occurs at . At that value,
Consequently
This Chernoff bound remains valid for noninteger positive thresholds ; the event is then the same as exceeding or equalling its integer ceiling.
The Hessian criterion for convexity, in the usual twice-differentiable multivariate setting, is
Thus the Hessian matrix must be a positive semidefinite matrix everywhere. The criterion follows by applying the second-derivative criterion for convexity to each line restriction , whose second derivative is . Continuous second partials are a sufficient regularity hypothesis for this line-restriction argument.
Substitution gives
In particular, is a stationary point. For sufficiently close to , Taylor's theorem with fifth-order remainder gives
where lies between and . The fifth derivative is bounded near , so the remainder is and is smaller in magnitude than half the positive quartic term for sufficiently small nonzero . Therefore is a strict local minimum, despite the vanishing second derivative.
An exact algebraic check gives the stronger global conclusion:
Equality holds only at , so it is the unique global minimum on the actual domain.
Pinsker's inequality Created 2026-09-24 Updated 2026-11-05
With Total variation distance defined by and relative entropy computed using natural logarithms, Pinsker's inequality states
If is not absolutely continuous with respect to , the relative entropy is infinite and the bound is vacuous. A small relative entropy therefore forces small discrepancies in probabilities of all events. For example, and have Total variation distance and relative entropy , giving an upper bound about .
A short proof reduces to a binary event. Grouping the probability mass inside and outside , the log-sum inequality gives , with and . For , the binary relative entropy as a function of has minimum zero at and second derivative . Integrating this derivative bound twice gives . Endpoint cases follow by limits. Taking the supremum over proves the inequality. Using base-two logarithms changes the constant by a factor of .