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Analytic Verlet retains order-two energy accuracy on exponential times

Statement

For analytic splitting data, let 0<h≤h0 be sufficiently small as in Optimal finite truncation gives an exponential local splitting defect, and let zj=Ψhj(z0)∈K for 0≤j≤n. Here e=exp⁡(1) and ex denotes exp⁡(x) (The real exponential function and the number e by a power series). There are constants C,c,h0>0, independent of h,n, such that

∣Hh(zn)−Hh(z0)∣≤Cnh e−c/h,∣H(zn)−H(z0)∣≤Ch2if nh≤ec/(2h).

Here Hh is the finite optimally truncated Hamiltonian with ∣Hh−H∣≤Ch2 on a neighbourhood of K. For kinetic-plus-potential data, choose the analytic labels A~=V, B~=12pTM−1p to obtain the velocity-Verlet map Kh/2∘Dh∘Kh/2; the other order is the position-Verlet variant. Each variant has the stated energy estimate. Compact retention of numerical iterates is assumed; no original-trajectory accuracy on exponential times is asserted.

Facts & Assumptions

Given: The splitting data, compact retention and small positive constant step.

[F1]

Optimal finite truncation gives an exponential local splitting defect gives a time-h modified flow with state defect at most Che−c/h and uniformly bounded displacement on D(ρ/8).

[F2]

The optimal modified Hamiltonian differs from the original by order two gives uniform gradient and order-two energy bounds. The analytic splitting and mechanical-map definitions fix the map order.

[F3]

Uniform mechanical-stage admissibility. The datum supplies δ=dist⁡(K,R2d∖U)>0 and ∥XA~∥,∥XB~∥≤M on Uρ. The holomorphic flow supplier The flow of a bounded holomorphic field on a polydisc: existence in complex time, displacement bound, holomorphy, and the composition law gives each subflow displacement at most M times its elapsed time. The real drift/kick identification under full segment containment is The drift, kick and velocity-Verlet maps are canonical: (DC)TJ DC=J and C∗ω=ω.

[F4]

For x>0, the power series defining exp⁡(x) has nonnegative terms and includes x2/2, hence exp⁡(x)≥x2/2 (The real exponential function and the number e by a power series).

Proof

1.1givenF3construct

Mechanical identification with a uniform smaller step. Decrease the existing positive h0, independently of n, so that h0≤δ/(4M) and h0≤ρ/(64d2dM). Starting at any z∈K, construct the three subflows successively using polydiscs of radius ρ/(42d) at their initial points. By [F3] their accumulated displacement, including every partial subflow time, is at most (1/2+1+1/2)Mh=2Mh≤δ/2. These polydiscs lie in Uρ, as in the distance-domain construction of the flow supplier, after further decreasing h0 to ensure 2Mh0≤ρ/16. For real mechanical initial data each subflow is real: on the real neighbourhood inside U its vector field is real, and uniqueness makes its local solution equal to its complex conjugate. If this real continuation reached the boundary of U before a factor ended, the accumulated displacement bound would put that boundary point within δ/2 of the starting point in K, contradicting the definition of δ. Local uniqueness therefore continues the real solution through every factor inside U. The mechanical fields integrate to affine drift and kick paths there, so [F3] identifies every complete internal segment and its endpoint with the corresponding real factor. Thus Ψh=Kh/2∘Dh∘Kh/2 in the potential-first order, and equals the position-Verlet variant in the other order, uniformly for every starting point in K. Retention of step endpoints in K lets this same argument apply at every step. All original energy estimates remain valid after decreasing h0.

1.2givenF1F2F3algebra

Modified conservation and local comparison. Along the modified flow, differentiation gives dHh(XHh)=∇HhTJ∇Hh=0 by skew symmetry. For zj∈K, the splitting displacement is at most 2Mh by [F3], and the modified-flow displacement is at most CGh by [F2], since J is an isometry and integration of Y˙=XHh(Y) bounds displacement by the supremum of ∥XHh∥ times elapsed time. Put C∗:=max⁡{2M,CG} and decrease h0 so that C∗h0≤ρ/16. Every point of the segment joining the two endpoints is then within ρ/16 of zj∈U, hence in D(ρ/8). Integrating the bounded gradient along this segment and using [F1] gives ∣Hh(zj+1)−Hh(zj)∣≤Che−c/h.

2.1step 1.2F2F4algebra∎

Telescoping and original energy. Summing step 1.2 over the finite n steps gives ∣Hh(zn)−Hh(z0)∣≤Cnhe−c/h. By [F2], ∣H(zn)−H(z0)∣≤2CEh2+Cnhe−c/h. If nh≤ec/(2h), the last term is at most Ce−c/(2h). Applying [F4] to x=c/(2h)>0 gives e−c/(2h)≤8h2/c2. Enlarging C proves the asserted order-two estimate for both splitting orders.

Depends on

Dependency tree · 2 levels

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