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Analytic Verlet retains order-two energy accuracy on exponential times
Statement
For analytic splitting data, let be sufficiently small as in Optimal finite truncation gives an exponential local splitting defect, and let for . Here and denotes (The real exponential function and the number by a power series). There are constants , independent of , such that
Here is the finite optimally truncated Hamiltonian with on a neighbourhood of . For kinetic-plus-potential data, choose the analytic labels , to obtain the velocity-Verlet map ; 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.
Optimal finite truncation gives an exponential local splitting defect gives a time- modified flow with state defect at most and uniformly bounded displacement on .
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.
Uniform mechanical-stage admissibility. The datum supplies and on . 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 times its elapsed time. The real drift/kick identification under full segment containment is The drift, kick and velocity-Verlet maps are canonical: and .
For , the power series defining has nonnegative terms and includes , hence (The real exponential function and the number by a power series).
Proof
Mechanical identification with a uniform smaller step. Decrease the existing positive , independently of , so that and . Starting at any , construct the three subflows successively using polydiscs of radius at their initial points. By [F3] their accumulated displacement, including every partial subflow time, is at most . These polydiscs lie in , as in the distance-domain construction of the flow supplier, after further decreasing to ensure . For real mechanical initial data each subflow is real: on the real neighbourhood inside its vector field is real, and uniqueness makes its local solution equal to its complex conjugate. If this real continuation reached the boundary of before a factor ended, the accumulated displacement bound would put that boundary point within of the starting point in , contradicting the definition of . Local uniqueness therefore continues the real solution through every factor inside . 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 in the potential-first order, and equals the position-Verlet variant in the other order, uniformly for every starting point in . Retention of step endpoints in lets this same argument apply at every step. All original energy estimates remain valid after decreasing .
Modified conservation and local comparison. Along the modified flow, differentiation gives by skew symmetry. For , the splitting displacement is at most by [F3], and the modified-flow displacement is at most by [F2], since is an isometry and integration of bounds displacement by the supremum of times elapsed time. Put and decrease so that . Every point of the segment joining the two endpoints is then within of , hence in . Integrating the bounded gradient along this segment and using [F1] gives .
Telescoping and original energy. Summing step 1.2 over the finite steps gives . By [F2], . If , the last term is at most . Applying [F4] to gives . Enlarging proves the asserted order-two estimate for both splitting orders.
Depends on
Analytic splitting data with uniform holomorphic neighbourhood, and the exact symmetric splitting map
The splitting Hamiltonian , the drift and kick maps, and the velocity-Verlet map
Optimal finite truncation gives an exponential local splitting defect
The optimal modified Hamiltonian differs from the original by order two
The flow of a bounded holomorphic field on a polydisc: existence in complex time, displacement bound, holomorphy, and the composition law
The drift, kick and velocity-Verlet maps are canonical: and
The real exponential function and the number by a power series