Original source: physical PDF pages 237–241; paper pages 1–5. All six optional questions are answered.
For a differentiable family of invertible linear operators, differentiate the identity without changing the factor order:Multiplication on the right by gives the derivative of matrix inversion,Commuting past the derivative would generally be invalid.
Take an orthonormal basis and insert its completeness relation:No normalization or orthogonality of is required. This is the trace of a rank-one operator; in a Hilbert space the sum converges by the Cauchy-Schwarz inequality.
In a finite-dimensional basis, interchange the two finite sums:This cyclic property of the trace does not assert or permit arbitrary reordering of three factors. For infinite-dimensional linear operators, the traces and rearrangements need hypotheses, for example one trace-class operator and one bounded operator; an arbitrary pair of unbounded linear operators is not covered.
For real , unitarity to first order givesHence the generator of an infinitesimal unitary transformation obeys : it is Hermitian. More precisely, is a differentiable unitary family at the identity. The omitted second-order terms matter if is finite.
Set . The product rule givesMultiplying by the integrating factor and integrating yields the commutator of an operator with an exponential:Equivalently, differentiate directly; its derivative is the integrand and it vanishes at zero. The argument is exact for finite matrices, and for bounded operators with their norm-convergent exponentials; unbounded linear operators require an appropriate common domain.
An ensemble of normalized quantum states with probabilities is represented by the density operatorIt determines every observable expectation value through . The ensemble decomposition need not be unique; the operator specifies the measurement statistics.
Each term is a Hermitian rank-one projection and is real, so . Using the rank-one trace,The remaining admissibility condition follows from : is positive semidefinite.
A normalized pure state has , and thereforeConversely, diagonalize a permissible density operator. Its eigenvalues obey and , soEquality requires every eigenvalue to be zero or one; exactly one is one. Thus the idempotent matrix condition and purity one both characterize a pure state. A mixed state has at least two positive eigenvalues, and . In dimension its purity is at least .
The given real symmetric matrix is Hermitian and has trace one. A spectral decomposition supplies its positivity without relying on diagonal entries alone:The remaining normalized eigenvector is with eigenvalue zero. Consequently the spectrum is , every eigenvalue is nonnegative, and the matrix is permissible. Its purity is , so it is mixed.
The original Von Neumann entropy depends on its eigenvalues, with defined by continuity:After rank-one dephasing, the eigenvalues are the retained diagonal populations , givingdephasing removes coherences in the specified basis, increasing the system's mixedness while preserving those measurement probabilities. It cannot be a closed-system unitary transformation, since the eigenvalues change. The subsystem entropy increase does not by itself assert an increase in the entropy of a closed system plus its environment.
The canonical commutation relation and hamiltonian giveSubstitution in the Heisenberg equation of motion yields and . Differentiating once more gives the harmonic-oscillator equation for each operator. Its initial-value solution isDifferentiating these expressions at zero verifies both prescribed initial derivatives. They also preserve .
The normalized initial Gaussian wave packet is real and even, so the integrands for and are odd. Its second position moment is the elementary Gaussian integral . Since and ,Moreover and . Thus
Square the operator solutions, retaining the symmetrized cross term rather than treating and as commuting variables. The initial symmetrized expectation vanishes, soThe means remain zero. These are also the variances. Unless , the Gaussian state breathes: its position and momentum widths exchange periodically while the mean energy remains constant.
Introduce the dimensionless width . Multiplying the variances givesThe minimum holds at all times precisely when , the oscillator ground-state width. For any other , it is still attained at the isolated quarter-period times , including zero. At a fixed generic time, minimizing over again selects .
The excess product has a covariance interpretation:Thus the breathing Gaussian state in a harmonic oscillator saturates the Robertson-Schrödinger uncertainty relation throughout, even when its position-momentum product exceeds the lower bound in the Heisenberg uncertainty principle.
The half-line square-root potential well is confining for , which is assumed here. The hard wall imposes and the smooth turning point is . With , the WKB action becomesThe hard-wall and soft-turning-point WKB quantization condition therefore givesThe coefficient here denotes the potential strength, not the integration limit in the generic quantization formula.
The WKB approximation is reliable in the interior where , but fails near the soft turning point where ; a connection formula supplies its phase. The hard wall also requires its boundary condition, and makes the local slow-variation condition fail sufficiently close to zero. Higher-energy states have a larger action relative to , with smaller relative endpoint regions, so the leading WKB spectrum is generally more reliable at large than for the ground state.
For , the exponential variational trial for a square-root half-line well satisfies the wall boundary condition and has norm . integration by parts has no boundary term and givesThe supplied gamma integral givesSetting yields the unique minimum,At the minimum , so the variational ground-state estimate isThe energy diverges as or , confirming that the stationary point minimizes the trial energy.
Write . Then and . The variational method guarantees , since the trial satisfies the wall condition and has finite energy. WKB gives no comparable upper-bound guarantee and is least controlled for the lowest state. The two estimates differ by about of the WKB value; their closeness is encouraging but does not prove that the exact energy lies between them.
Split the time-evolution operator into factors with , and insert position completeness relations between them. Each factor is evaluated by inserting momentum states normalized by :Multiplying the kernels and integrating the intermediate positions produces the stated time-sliced path integral, including its normalization power. For a free particle this Gaussian short-time kernel is exact, so the convolution identity already holds at finite . Oscillatory integrals are defined with a vanishing convergence regulator, consistently fixing the square-root phase.
The exponent is , whereis the classical action of the piecewise-linear interpolating path. For smooth paths its limit is . The discretization defines the quantum integral; it does not assert that typical quantum paths are differentiable. Weighting histories by their action phase is the central formulation of the original path-integral paper.[ref]
Space-Time Approach to Non-Relativistic Quantum Mechanics by Richard Feynman. 1948, abstract: amplitudes from histories weighted by the exponential of classical action in units of reduced Planck's constant
When action differences on the experimental scales are large compared with , nearby nonstationary phases cancel. stationary phase selects at fixed endpoints, hence . The surviving free classical trajectory is , with action . This is the semiclassical mechanism; it does not mean each individual path becomes a classical path.
The Fresnel convolution of free-particle time slices follows by completing the square:The second term is independent of . The shifted Fresnel integral in the first term givesHere is the positive slice index, not a wave number. The phase is fixed by the same convergence prescription as the short-time kernel.
After integrating , the remaining exponent contains . The square-root factors telescope:Since , the free-particle propagator isFor , the square root has phase . Its short-time limit is the position delta function in the distributional sense, consistent with unitary evolution.
A scattering phase shift measures the change of a partial wave's outgoing phase relative to the free radial solution. For a real central potential and elastic scattering, probability conservation gives a unit-modulus Partial-wave S-matrix . Indeedso the incoming amplitude is unchanged and the outgoing one acquires .
Expanding an incident plane wave in Legendre polynomials and comparing the outgoing spherical wave givesUse and to remove cross terms:This is the elastic total scattering cross-section for the one-particle central-potential problem, with no identical-particle symmetrization factor.
For , put . The radial Schrödinger equation reduces to inside and outside, where and . Regularity at the origin requires , excluding the inner cosine. A real outer sine-cosine combination can be written with an amplitude and a phase shift:The inner expression has the finite limiting value at the origin. An overall complex normalization can carry the asymptotic phase convention of part a.
At a finite potential step, both and are continuous:Taking the logarithmic derivative eliminates the amplitudes:At a zero of a denominator, the original two matching equations provide the continuous limiting condition.
Write and . At low energy, the wave normally dominates. Under the additional stated near-resonance assumption , neglect inside the cotangent of the matching condition and set :Substitution in givesThis is a near-resonance square-well approximation, not a uniform formula for every well radius. A phase shift is defined modulo ; its representative must be chosen consistently when applying the comparison with .
For small fixed positive , the stated approximate curve has maxima atIts formal minima are zero at . The peak height is the -wave unitarity limit, and the peaks narrow as decreases.
To identify the bound-state threshold, let the bound-state energy be with . The reduced radial wave is proportional to inside and outside, with and . Matching gives . As a new bound state emerges at ,Thus the limiting peak locations coincide with the appearance of successive -wave bound states. At the exact threshold the zero-energy radial solution is not square-integrable; a normalizable bound state appears just beyond it. Finite-energy maxima shift slightly from the zero-energy positions.
The formal minima require care because the assumption used in part d fails there. Retaining in the exact matching condition gives the spherical square-well scattering lengthaway from a threshold. At , , so the true low-energy S-wave scattering contribution is , not zero. Genuine leading-order zeros of that contribution instead satisfy , for example and . The original sketch compares the exact finite-energy wave with the requested approximation, making this nonuniformity visible. Dominance by the wave must be checked separately near a higher-partial-wave threshold. The scattering-length divergence and its bound-state interpretation are also derived in institutional lecture notes.[ref]
Topics in Quantum Mechanics by David Tong. 2017, §6.2.6, printed pp. 219–222: square-well matching, scattering length and threshold bound states
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