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Landau–Zener Simulation

The infinite-sweep Landau–Zener formula is exact, but a numerical propagation never begins at x=−∞x=-\infty, never ends at x=+∞x=+\infty, and never uses an infinitesimal step. This notebook turns those three differences into separate tests. It propagates a swept two-level state with a unitary fourth-order Magnus method, compares two independent integrators, varies the endpoint and step independently, and records both probability and phase-sensitive state error.

The main numerical result is intentionally less tidy than a single agreement number. With exact instantaneous eigenstates prepared and measured at finite endpoints, the transition probability approaches e−2πγe^{-2\pi\gamma} with an oscillatory error. At γ=0.25\gamma=0.25, the absolute error falls from 4.21×10−44.21\times10^{-4} at X=4X=4 to 1.37×10−61.37\times10^{-6} at X=64X=64, but it does not decrease monotonically between those windows. A calculation that instead prepares and measures the bare diabatic state can differ by more than one percentage point even at X=64X=64.

Meanwhile, the production Magnus state at γ=0.5\gamma=0.5 and X=12X=12 changes by only 7.59×10−137.59\times10^{-13} when the step is halved. The residual difference from the asymptotic formula is therefore an endpoint effect, not an integration error.

Run the investigation. Download the complete package, extract it, and run python run.py --output-dir results in the environment described by Running an Experiment. The package verification report records the tested source, actual execution date, environment and scientific checks.

This page owns a reusable numerical experiment, not the general derivation of Landau–Zener physics.

ObjectCanonical homeRole here
Hamiltonian, basis dictionary, and exact probabilityLandau–Zener Transitionanalytic target
convention audit and one hand-worked finite-window calculationLandau–Zener Transition Worked Exampleinterpretation and comparison
general adiabatic criterionAdiabatic Approximationslow-passage context
convergence logicConvergence Testsnumerical standard
reusable solver, sweeps, and retained datathis pagecomputational benchmark

The convention-sensitive state mapping is summarized here only to define the program’s input and output. Use the worked example when the factors of two or the words “stay” and “transition” are in doubt.

The Hamiltonian is

H(t)=vt2σz+Δσx,v>0,Δ>0.\begin{aligned} H(t) &= \frac{vt}{2}\sigma_z + \Delta\sigma_x, \\ v&>0, \qquad \Delta>0. \end{aligned}

Define

x≡vt2Δ,γ≡Δ2ℏv.x \equiv \frac{vt}{2\Delta}, \qquad \gamma \equiv \frac{\Delta^2}{\hbar v}.

The time-dependent Schrödinger equation then becomes

idψdx=2γ(xσz+σx)ψ.i\frac{d\psi}{dx} = 2\gamma \left( x\sigma_z+\sigma_x \right)\psi.

The ideal infinite-sweep experiment prepares the lower instantaneous eigenstate at x→−∞x\to-\infty and asks for the probability of ending on the upper instantaneous branch at x→+∞x\to+\infty. Its exact target is

PLZ(γ)=e−2πγ.P_{\mathrm{LZ}}(\gamma) = e^{-2\pi\gamma}.

Small γ\gamma is the fast, nearly diabatic limit; large γ\gamma is the slow, nearly adiabatic limit. The calculation below covers

0.02≤γ≤1.25,0.02\le\gamma\le1.25,

for which the exact probability ranges from approximately 0.8820.882 to 3.88×10−43.88\times10^{-4}.

At a finite endpoint XX, let ∣±;x⟩\lvert\pm;x\rangle denote normalized instantaneous eigenstates. The primary observable is

PX=∣⟨+;X∣U(X,−X)∣−;−X⟩∣2.P_X = \left| \left\langle +;X\right| U(X,-X) \left|-;-X\right\rangle \right|^2.

This protocol prepares the exact lower eigenstate of the Hamiltonian actually used at the initial endpoint and projects onto the exact upper eigenstate at the final endpoint. Its difference from the asymptotic formula is

ϵX=PX−PLZ.\epsilon_X = P_X-P_{\mathrm{LZ}}.

The program also evaluates a deliberately different protocol,

P~X=∣⟨1∣U(X,−X)∣1⟩∣2,\widetilde P_X = \left| \langle1|U(X,-X)|1\rangle \right|^2,

where ∣1⟩\lvert1\rangle is a fixed diabatic basis vector. The two protocols agree only asymptotically. At finite XX, replacing ∣−;−X⟩\lvert-;-X\rangle by ∣1⟩\lvert1\rangle changes the preparation, and replacing ∣+;X⟩\lvert+;X\rangle by ∣1⟩\lvert1\rangle changes the measurement.

That distinction is not a small implementation detail. It is a change of physical question.

Write the equation as

dψdx=A(x)ψ,A(x)=−2iγ(xσz+σx).\begin{aligned} \frac{d\psi}{dx} &= A(x)\psi, \\ A(x) &= -2i\gamma \left( x\sigma_z+\sigma_x \right). \end{aligned}

Because A(x)A(x) is anti-Hermitian, exact evolution is unitary. A time step should preserve that structure when practical.

For a step from xx to x+hx+h, define the midpoint xm=x+h/2x_m=x+h/2 and the two Gauss nodes

x1,2=xm∓36h.x_{1,2} = x_m \mp \frac{\sqrt3}{6}h.

With Aj=A(xj)A_j=A(x_j), the fourth-order Magnus exponent is

Ω4=h2(A1+A2)−3h212[A1,A2].\Omega_4 = \frac{h}{2} \left(A_1+A_2\right) - \frac{\sqrt3h^2}{12} \left[A_1,A_2\right].

For the linear Landau–Zener Hamiltonian, the commutator can be evaluated analytically. The result is

Ω4=−iK,\Omega_4=-iK,

with

K=2γh σx+23γ2h3 σy+2γhxm σz.\begin{aligned} K ={}& 2\gamma h\,\sigma_x + \frac{2}{3}\gamma^2h^3\,\sigma_y \\ &+ 2\gamma h x_m\,\sigma_z. \end{aligned}

If

K=kxσx+kyσy+kzσz,r=kx2+ky2+kz2.\begin{aligned} K &= k_x\sigma_x+k_y\sigma_y+k_z\sigma_z, \\ r &= \sqrt{k_x^2+k_y^2+k_z^2}. \end{aligned}

then the step is applied without a general matrix exponential:

e−iK=cos⁡r I−isin⁡rrK.e^{-iK} = \cos r\,I - i\frac{\sin r}{r}K.

Each step is unitary to floating-point roundoff. The commutator term is essential for fourth-order accuracy; dropping it gives exponential midpoint.

The program implements two additional methods.

  1. Exponential midpoint: exponentiate hA(xm)hA(x_m) exactly. It is unitary but only second order globally.
  2. Classical RK4: evaluate four right-hand-side stages. It is fourth order in the asymptotic step-size regime but is neither exactly unitary nor unconditionally stable.

Agreement between Magnus and RK4 after refinement is stronger evidence than agreement between two nearly identical exponential formulas. Midpoint supplies a separate order check and demonstrates that exact norm preservation does not imply high accuracy.

At fixed XX, the numerical probability is compared with a much finer Magnus reference:

ϵP(h)=∣Ph−Pref∣.\epsilon_P(h) = \left|P_h-P_{\mathrm{ref}}\right|.

A probability discards phase information. Its error can therefore be accidentally small even when the propagated state is not comparably accurate.

The primary integrator metric is

ϵψ(h)=min⁡ϕ∥ψh−eiϕψref∥2.\epsilon_\psi(h) = \min_{\phi} \left\| \psi_h-e^{i\phi}\psi_{\mathrm{ref}} \right\|_2.

Removing one global phase compares physical rays while retaining relative amplitude and relative-phase errors. Both states are normalized before this comparison, so RK4 norm loss is also reported separately rather than hidden inside the distance.

The run records

ϵN=max⁡−X≤x≤X∣⟨ψ(x)∣ψ(x)⟩−1∣.\epsilon_N = \max_{-X\le x\le X} \left| \langle\psi(x)|\psi(x)\rangle-1 \right|.

For a unitary method, ϵN\epsilon_N should remain near accumulated roundoff. For RK4 it is a stability and truncation diagnostic, but a small norm drift alone does not certify the state.

ControlProduction valueIndependent sweep or check
endpoint for formula comparisonX=64X=6444 through 6464
steph=0.0025h=0.00250.160.16 through 0.00250.0025
production methodfourth-order Magnusmidpoint and RK4
coupling0.02≤γ≤1.250.02\le\gamma\le1.25nine retained values
trajectory exampleγ=0.25\gamma=0.25, X=12X=12801801 output samples
finite-step referenceMagnus, h=0.0003125h=0.0003125fixed γ=0.5\gamma=0.5, X=12X=12
arithmeticIEEE 754 binary64norm and refinement audit
random samplingnonedeterministic output

At the largest endpoint and coupling, the instantaneous generator has eigenvalue magnitude

2γ1+X2≈160.2\gamma\sqrt{1+X^2} \approx160.

Thus the endpoint dynamics, not only the central avoided crossing, constrain the step size. The production value gives a largest local phase increment of approximately 0.400.40 for this hardest retained point.

A Landau–Zener trajectory and finite-window convergence curves for three adiabaticity parameters.

Panel (a) follows a state prepared as ∣−;−12⟩\lvert-;-12\rangle at γ=0.25\gamma=0.25. The upper-adiabatic and first-diabatic populations answer different questions at finite xx. Panel (b) shows the oscillatory difference ∣PX−PLZ∣|P_X-P_{\mathrm{LZ}}| and, for γ=0.25\gamma=0.25, the difference between exact finite-endpoint and bare-diabatic protocols. A favorable single window is not a convergence proof.

The trajectory begins with unit lower-adiabatic population, but the same state already has diabatic population

∣⟨1∣−;−12⟩∣2=0.998273.|\langle1|-;-12\rangle|^2 = 0.998273.

At the crossing, the upper-adiabatic population is 0.1367960.136796. At x=12x=12 it is 0.20743850.2074385, while the diabatic-11 population of that same propagated state is 0.21964660.2196466. Neither finite-time quantity is required to equal the asymptotic result exactly.

For γ=0.25\gamma=0.25,

PLZ=0.2078795764.P_{\mathrm{LZ}} = 0.2078795764.

| XX | PXP_X | PX−PLZP_X-P_{\mathrm{LZ}} | ∣P~X−PX∣|\widetilde P_X-P_X| | |---:|---:|---:|---:| | 44 | 0.20745824730.2074582473 | −4.21×10−4-4.21\times10^{-4} | 1.54×10−11.54\times10^{-1} | | 66 | 0.21067341690.2106734169 | +2.79×10−3+2.79\times10^{-3} | 7.59×10−27.59\times10^{-2} | | 88 | 0.20880097140.2088009714 | +9.21×10−4+9.21\times10^{-4} | 7.78×10−27.78\times10^{-2} | | 1212 | 0.20743852220.2074385222 | −4.41×10−4-4.41\times10^{-4} | 2.15×10−22.15\times10^{-2} | | 1616 | 0.20768324950.2076832495 | −1.96×10−4-1.96\times10^{-4} | 4.12×10−34.12\times10^{-3} | | 2424 | 0.20793789740.2079378974 | +5.83×10−5+5.83\times10^{-5} | 2.50×10−32.50\times10^{-3} | | 3232 | 0.20786628170.2078662817 | −1.33×10−5-1.33\times10^{-5} | 2.18×10−22.18\times10^{-2} | | 4848 | 0.20787262110.2078726211 | −6.96×10−6-6.96\times10^{-6} | 5.32×10−35.32\times10^{-3} | | 6464 | 0.20788094370.2078809437 | +1.37×10−6+1.37\times10^{-6} | 1.13×10−21.13\times10^{-2} |

The error changes sign repeatedly. Its envelope generally decreases, but individual values need not. In particular, the small error at X=4X=4 is followed by a larger error at X=6X=6. Endpoint-generated amplitudes acquire rapidly varying dynamical phases and interfere with the principal transition amplitude.

The bare-protocol difference is even less monotone. Its value at X=32X=32 is larger than at X=24X=24 because it includes coherent endpoint rotations, not merely a positive geometric correction.

| γ\gamma | PLZP_{\mathrm{LZ}} | P64P_{64} | relative formula difference | ∣P~64−P64∣|\widetilde P_{64}-P_{64}| | |---:|---:|---:|---:|---:| | 0.020.02 | 0.88191137830.8819113783 | 0.88194158510.8819415851 | 3.43×10−53.43\times10^{-5} | 1.60×10−31.60\times10^{-3} | | 0.050.05 | 0.73040269100.7304026910 | 0.73041486090.7304148609 | 1.67×10−51.67\times10^{-5} | 9.82×10−39.82\times10^{-3} | | 0.100.10 | 0.53348809110.5334880911 | 0.53348110190.5334811019 | 1.31×10−51.31\times10^{-5} | 1.06×10−21.06\times10^{-2} | | 0.250.25 | 0.20787957640.2078795764 | 0.20788094370.2078809437 | 6.58×10−66.58\times10^{-6} | 1.13×10−21.13\times10^{-2} | | 0.500.50 | 0.04321391830.0432139183 | 0.04321315620.0432131562 | 1.76×10−51.76\times10^{-5} | 1.17×10−31.17\times10^{-3} | | 0.750.75 | 0.00898329100.0089832910 | 0.00898348020.0089834802 | 2.11×10−52.11\times10^{-5} | 1.90×10−31.90\times10^{-3} | | 1.001.00 | 0.00186744270.0018674427 | 0.00186743510.0018674351 | 4.07×10−64.07\times10^{-6} | 1.10×10−31.10\times10^{-3} | | 1.251.25 | 0.00038820320.0003882032 | 0.00038818360.0003881836 | 5.04×10−55.04\times10^{-5} | 6.07×10−46.07\times10^{-4} |

Across this retained range, the exact-endpoint X=64X=64 result agrees with the asymptotic formula to better than 5.1×10−55.1\times10^{-5} relatively. This is a statement about the sampled parameters and window, not a universal endpoint bound.

State-error and norm-drift convergence for exponential midpoint, fourth-order Magnus, and classical RK4 propagation.

All curves use γ=0.5\gamma=0.5 and X=12X=12. Panel (a) compares final rays with a Magnus reference at h=0.0003125h=0.0003125; the thin guides scale as h2h^2 and h4h^4. Panel (b) shows that midpoint and Magnus remain unitary to roundoff, whereas coarse RK4 loses norm and stability. Unitarity and accuracy are distinct tests.

The refined finite-window reference probability is

P12ref=0.0431911677214.P_{12}^{\mathrm{ref}} = 0.0431911677214.

For comparison,

PLZ(0.5)=0.0432139182638.P_{\mathrm{LZ}}(0.5) = 0.0432139182638.

The finite-window difference is 2.28×10−52.28\times10^{-5}, much larger than the retained integration error.

hhmidpoint ϵψ\epsilon_\psiMagnus ϵψ\epsilon_\psiRK4 ϵψ\epsilon_\psiRK4 ϵN\epsilon_N
0.160.168.93×10−48.93\times10^{-4}2.14×10−52.14\times10^{-5}2.10×10−12.10\times10^{-1}1.001.00
0.080.082.21×10−42.21\times10^{-4}9.36×10−79.36\times10^{-7}5.41×10−25.41\times10^{-2}3.54×10−13.54\times10^{-1}
0.040.045.52×10−55.52\times10^{-5}5.43×10−85.43\times10^{-8}4.16×10−34.16\times10^{-3}1.45×10−21.45\times10^{-2}
0.020.021.38×10−51.38\times10^{-5}3.33×10−93.33\times10^{-9}2.73×10−42.73\times10^{-4}4.66×10−44.66\times10^{-4}
0.010.013.45×10−63.45\times10^{-6}2.07×10−102.07\times10^{-10}1.72×10−51.72\times10^{-5}1.46×10−51.46\times10^{-5}
0.0050.0058.62×10−78.62\times10^{-7}1.30×10−111.30\times10^{-11}1.08×10−61.08\times10^{-6}4.57×10−74.57\times10^{-7}
0.00250.00252.15×10−72.15\times10^{-7}8.10×10−138.10\times10^{-13}6.76×10−86.76\times10^{-8}1.43×10−81.43\times10^{-8}

The median observed orders from the asymptotic part of the sweep are

pmidpoint=2.0000,pMagnus=4.0018,pRK4=3.9958.\begin{aligned} p_{\mathrm{midpoint}}&=2.0000, \\ p_{\mathrm{Magnus}}&=4.0018, \\ p_{\mathrm{RK4}}&=3.9958. \end{aligned}

The unitary methods have maximum norm errors below 1.74×10−141.74\times10^{-14} across this sweep. Yet midpoint at h=0.16h=0.16 is about forty times less accurate in state space than fourth-order Magnus while preserving norm equally well. Structure preservation prevents one class of failure; it does not remove truncation error.

RK4 illustrates the complementary warning. At h=0.16h=0.16, its maximum norm error is 0.9999850.999985, so the state is almost extinguished by numerical instability. By h=0.0025h=0.0025, fourth-order state convergence is visible, but the norm drift 1.43×10−81.43\times10^{-8} is still six orders of magnitude larger than the Magnus state error.

CheckRetained valueWhat it tests
Magnus order4.00184.0018commutator sign and fourth-order implementation
midpoint order2.00002.0000independent second-order comparator
RK4 order3.99583.9958independent right-hand-side implementation
production Magnus step halving7.59×10−137.59\times10^{-13}state-level integration error at γ=0.5\gamma=0.5, X=12X=12
largest unitary norm drift in method sweep1.73×10−141.73\times10^{-14}exponential-step implementation
γ=0.25\gamma=0.25, X=64X=64 formula difference1.37×10−61.37\times10^{-6}approach to the asymptotic target
coarse-RK4 norm drift0.9999850.999985stability diagnostic is active
probability boundsall values in [0,1][0,1]observable assembly

These checks are complementary. The Magnus and midpoint norm tests share the same Pauli-exponential helper, so they are not independent validations of that helper. RK4 supplies an independently coded evolution equation, while the analytic probability supplies an asymptotic physical benchmark. The finite-window reference remains numerical; an exact finite-duration parabolic-cylinder solution would provide an additional independent check.

Take γ=0.5\gamma=0.5, X=12X=12, and h=0.0025h=0.0025.

SourceRetained scaleInterpretation
asymptotic replacement2.28×10−52.28\times10^{-5} in probabilityfinite XX versus PLZP_{\mathrm{LZ}}
Magnus time step7.59×10−137.59\times10^{-13} in state distanceproduction versus halved step
Magnus norm driftbelow 1.0×10−141.0\times10^{-14}accumulated roundoff
endpoint basis protocolproblem-dependent, not an error bardifferent preparation and measurement
model discrepancynot testedextra levels, nonlinear sweep, and environment absent

The first row dominates the numerical comparison with the infinite-sweep formula. The last row is outside this computation: agreement with Landau–Zener theory does not validate a two-level reduction for a particular experiment.

Extract the complete package linked above, then run its entry point from the extracted directory:

Terminal window
python run.py --output-dir results

NumPy is the only required package. The optional —plot flag uses Matplotlib to generate quick-look PNGs from the retained CSV data. The documentation figures use the linked pgfplots sources.

ArtifactContents
Python programpropagators, sweeps, validation, and data export
window sweepthree couplings, twelve endpoint windows, and two basis protocols
coupling sweepformula comparison at X=64X=64
trajectorydiabatic and adiabatic populations, phase, and norm
integrator convergencestate, probability, and norm errors for three methods
dynamics/window figure sourcepgfplots source for the trajectory and endpoint sweep
integrator figure sourcepgfplots source for convergence and norm drift
ItemValue
run date2026-07-16
Python3.12.13
NumPy2.3.5
arithmeticbinary64 complex amplitudes
random seednot applicable; no random sampling
wall time on retained machine35.7 s35.7\ \mathrm{s}
program licenseMIT
figure datadirect, unfiltered CSV output

Runtime is hardware-dependent and is not a validation target. Reproduction should compare retained values and the program’s embedded checks.

The implementation follows a short, inspectable sequence.

  1. Construct the exact lower instantaneous eigenvector at x=−Xx=-X.
  2. Choose an integer number of steps and adjust hh so the final point is exactly +X+X.
  3. Apply Magnus, midpoint, or RK4 steps while recording the maximum norm deviation.
  4. Project onto the exact upper instantaneous eigenvector at +X+X.
  5. Repeat from the bare diabatic state and project in the bare basis.
  6. Vary hh at fixed XX for integration convergence.
  7. Vary XX at fixed small hh for endpoint convergence.
  8. Compare full final rays with a refined finite-window reference.

No interpolation is used in the endpoint projection. Trajectory samples are diagnostic output only and do not feed back into the propagation.

  • Changing the Hamiltonian convention: if the diagonal entries, coupling, or sweep slope are renamed, the exponent and dimensionless equation must be translated together.
  • Bare-state preparation at finite detuning: ∣1⟩\lvert1\rangle is not exactly ∣−;−X⟩\lvert-;-X\rangle. The resulting difference is coherent and need not decrease monotonically.
  • One-window confirmation: an accidental cancellation can make one XX look converged. Test an envelope over several larger windows.
  • One-step confirmation: agreement after halving hh says nothing about finite-endpoint error.
  • Coarse RK4 at large detuning: the endpoint oscillation frequency grows with γX\gamma X and can leave the RK4 stability region.
  • Renormalizing every RK4 step: forced normalization hides norm loss but does not repair relative-phase or population error.
  • Treating unitarity as accuracy: exponential midpoint preserves norm exactly while retaining second-order state error.
  • Probability-only convergence: one scalar can converge through cancellation while the final ray remains inaccurate.
  • Tiny probabilities: for large γ\gamma, relative errors become sensitive to underflow and absolute roundoff. Logarithmic formulations or exact asymptotics may be needed.
  • Adaptive steps without a physical audit: a local tolerance does not automatically control the final transition probability or finite-window error.
  • Repeated passages: two crossings produce Stückelberg interference and require a phase-aware multi-passage calculation.
  • Open-system dynamics: relaxation, dephasing, and noise require a density-matrix or stochastic model; a norm-preserving spinor solver cannot represent them.
  • More than two levels: an apparently isolated avoided crossing can be contaminated by nearby states even when this two-level computation is perfectly converged.
  • Nonlinear or truncated ramps: the ideal exponent need not remain exact when detuning is nonlinear or coupling is time-dependent.
  1. Implement the exact finite-duration solution with parabolic-cylinder functions and compare it directly with the numerical PXP_X.
  2. Use a symmetric nonlinear sweep and identify which local slope, if any, controls an effective Landau–Zener exponent.
  3. Add a second passage and recover Stückelberg fringes as a function of waiting phase.
  4. Propagate a Lindblad master equation and separate dephasing from endpoint error.
  5. Compare fixed-step Magnus with an adaptive commutator-free exponential integrator.
  6. Repeat the state-error audit in a moving adiabatic basis and track the geometric connection explicitly.

Starting from

iℏdψdt=(vt2σz+Δσx)ψ,i\hbar\frac{d\psi}{dt} = \left( \frac{vt}{2}\sigma_z + \Delta\sigma_x \right)\psi,

derive the dimensionless equation used by the program.

Solution

Set x=vt/(2Δ)x=vt/(2\Delta), so

ddt=v2Δddx.\frac{d}{dt} = \frac{v}{2\Delta} \frac{d}{dx}.

Also vt/2=Δxvt/2=\Delta x. Substitution gives

iℏv2Δdψdx=Δ(xσz+σx)ψ.i\hbar \frac{v}{2\Delta} \frac{d\psi}{dx} = \Delta \left(x\sigma_z+\sigma_x\right)\psi.

Multiplying by 2Δ/(ℏv)2\Delta/(\hbar v) and defining γ=Δ2/(ℏv)\gamma=\Delta^2/(\hbar v) yields

idψdx=2γ(xσz+σx)ψ.i\frac{d\psi}{dx} = 2\gamma \left(x\sigma_z+\sigma_x\right)\psi.

For the two Gauss nodes, show that the fourth-order exponent contains

−i23γ2h3σy.-i\frac{2}{3}\gamma^2h^3\sigma_y.
Solution

Let B(x)=xσz+σxB(x)=x\sigma_z+\sigma_x, so A(x)=−2iγB(x)A(x)=-2i\gamma B(x). Using

[σz,σx]=2iσy,[\sigma_z,\sigma_x] = 2i\sigma_y,

one finds

[B(x1),B(x2)]=2i(x1−x2)σy=−2i33h σy.\begin{aligned} [B(x_1),B(x_2)] &= 2i(x_1-x_2)\sigma_y \\ &= -\frac{2i\sqrt3}{3}h\,\sigma_y. \end{aligned}

Therefore

[A1,A2]=8i33γ2h σy.[A_1,A_2] = \frac{8i\sqrt3}{3} \gamma^2h\,\sigma_y.

Multiplying by the Magnus coefficient gives

−3h212[A1,A2]=−i23γ2h3σy.-\frac{\sqrt3h^2}{12}[A_1,A_2] = -i\frac{2}{3}\gamma^2h^3\sigma_y.

Together with the averaged generator, this is Ω4=−iK\Omega_4=-iK with the KK stated above.

Use the Magnus state errors at h=0.04h=0.04 and h=0.02h=0.02 to estimate the convergence order.

Solution

For step halving,

pobs=log⁡(ϵ0.04/ϵ0.02)log⁡2.p_{\mathrm{obs}} = \frac{ \log(\epsilon_{0.04}/\epsilon_{0.02}) }{ \log2 }.

Using 5.429×10−85.429\times10^{-8} and 3.334×10−93.334\times10^{-9} gives

pobs≈log⁡(16.28)log⁡2≈4.03.p_{\mathrm{obs}} \approx \frac{\log(16.28)}{\log2} \approx4.03.

Later pairs approach 44 more closely. The deviation here reflects pre-asymptotic contributions and the finite numerical reference.

At γ=0.5\gamma=0.5 and X=12X=12, the production state changes by 7.59×10−137.59\times10^{-13} under step halving, but the probability differs from PLZP_{\mathrm{LZ}} by 2.28×10−52.28\times10^{-5}. What conclusion is justified, and what conclusion is not?

Solution

The justified conclusion is that time-step error is negligible relative to the discrepancy with the infinite-sweep formula. The natural remaining numerical explanation is the finite endpoint X=12X=12, which should be tested by increasing XX while maintaining step resolution.

It is not justified to claim that the underlying two-level model describes a laboratory system to 2.28×10−52.28\times10^{-5}. Extra levels, ramp nonlinearity, decoherence, and parameter uncertainty are model errors absent from this calculation.

At h=0.16h=0.16, both midpoint and Magnus preserve norm to about 10−1510^{-15}, yet their phase-aligned state errors are 8.93×10−48.93\times10^{-4} and 2.14×10−52.14\times10^{-5}. Why is there no contradiction?

Solution

Norm preservation constrains the state to remain on the unit sphere. It does not determine where on that sphere the state lies. A unitary approximation can rotate by the wrong angle or around the wrong axis while preserving norm exactly.

Magnus includes the leading noncommutativity correction and is fourth order. Exponential midpoint omits that term and is second order. Both are unitary, but their trajectory errors differ.

Why is the criterion ∣P2X−PX∣<ε|P_{2X}-P_X|<\varepsilon at one pair of windows unsafe here? Propose a stronger rule.

Solution

The endpoint error oscillates because small amplitudes generated near the boundaries acquire changing dynamical phases. Two neighboring windows can agree through accidental cancellation even when the envelope remains larger than ε\varepsilon.

A stronger empirical rule evaluates several increasing windows, such as XX, 1.25X1.25X, 1.5X1.5X, and 2X2X, and requires all pairwise changes from the largest-window result to remain below the tolerance. It should be repeated after step refinement because the endpoint frequency grows with XX. When available, comparison with an exact finite-duration solution is stronger still.

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