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The drift, kick and velocity-Verlet maps are canonical: (DC)TJ DC=J and C∗ω=ω

Statement

Let d≥1, let U, M, V, A, B, H=A+B, Dh, Kh and Vh be as in The splitting Hamiltonian H=A+B, the drift and kick maps, and the velocity-Verlet map, with ωU the standard two-form and J=(0dId−Id0d) the standard symplectic matrix (A phase domain, its canonical one-form and its standard symplectic two-form). Then, on the sets where the maps are defined:

  1. Dh is C∞ with constant derivative DDh(q,p)=(IdhM−10dId), and, when the whole segment (q+tM−1p,p) for t between 0 and h lies in U, Dh(q,p) is the time-h value of the local flow (The local flow of an autonomous first-order system) of the Hamiltonian field XA(q,p)=(M−1p,0) of the kinetic part; moreover DDh(q,p)TJ DDh(q,p)=J.
  2. Kh is C2 with derivative DKh(q,p)=(Id0d−h HV(q)Id), where HV is the Hessian matrix of V, and, when the whole segment (q,p−t∇V(q)) for t between 0 and h lies in U, Kh(q,p) is the time-h value of the local flow of the Hamiltonian field XB(q,p)=(0,−∇V(q)) of the potential part; moreover DKh(q,p)TJ DKh(q,p)=J.
  3. The admissible composition domain of Vh is open, Vh is C2 there, and its derivative satisfies DVh(q,p)TJ DVh(q,p)=J, so that Vh∗ωU=ωU: the velocity-Verlet map preserves the standard two-form and, when its admissible composition domain is nonempty, is a local C2 canonical transformation in the finite-regularity sense of Finite-regularity differential forms, Hamiltonian fields and canonical maps in phase charts. This matrix/form conclusion holds on the full algebraic composition domain; the separate flow interpretations in clauses 1-2 require the stated intermediate-segment containment.

Facts & Assumptions

Given: The data of The splitting Hamiltonian H=A+B, the drift and kick maps, and the velocity-Verlet map: the phase domain U, the symmetric positive definite M with its specified two-sided inverse, the C3 potential V, and the maps Dh,Kh,Vh. Transposing the inverse identities and using MT=M gives (M−1)T=M−1.

[F2]

Symmetry of the blocks: (M−1)T=M−1 as recalled in the data, and HV(q)T=HV(q) for the C2 scalar field V (The Hessian of a C2 scalar field is symmetric, The Hessian matrix and critical points of a scalar field).

[F3]

The matrix test: for C1 maps between phase domains with the same J, preservation of the standard two-form, C∗ω=ω, is equivalent to DCTJ DC=J (A C1 map between phase domains preserves the standard two-form iff DCTJ DC=J, and a canonical diffeomorphism carries XH∘C to XH, A phase domain, its canonical one-form and its standard symplectic two-form).

[F4]

Local flows: for a locally Lipschitz field F, the time-t map of its local flow is characterised among solutions by Φ0=id and ∂tΦt=F∘Φt, with uniqueness of solutions through a given initial point (The local flow of an autonomous first-order system, Picard-Lindelöf local existence and uniqueness for first-order systems).

Proof

technique · direct; compute the two block derivatives, verify the two matrix identities by block multiplication, and compose
1.1givenF1F4algebra

Clause 1, derivative and flow. The map Dh(q,p)=(q+hM−1p,p) is affine, hence C∞, with constant Jacobian (IdhM−10dId) read off from the partial derivatives by [F1]. The curve t↦(q+tM−1p,p) has derivative (M−1p,0)=XA at its own value, and at t=0 it equals (q,p); if its full segment between 0 and h stays in U, uniqueness in [F4] identifies its endpoint with the time-h local flow value of XA. Writing C:=DDh(q,p), block multiplication using [F1] and the fact that the blocks Id, hM−1 commute with each other gives CTJC=(Id0hM−1Id)(0Id−Id−hM−1)=(0Id−Id0)=J, the middle factor being J C.

1.2givenF1F2F4algebra

Clause 2, derivative and flow. The first block row of DKh is (Id,0d) because Kh leaves q unchanged; the second block row is (−hHV(q),Id) because p−h∇V(q) has q-gradient −hHV(q) and p-gradient Id by [F1]; V∈C3 makes ∇V of class C2 (and the Hessian entries C1), so the displayed formula for Kh is C2. The curve t↦(q,p−t∇V(q)) has derivative (0,−∇V(q))=XB at its own value and equals (q,p) at t=0, so, when its full segment up to h stays in U, [F4] identifies its endpoint with the time-h local flow value of XB. With C:=DKh(q,p) and S:=HV(q), block multiplication using ST=S from [F2] gives CTJC=(Id−hS0Id)(−hSId−Id0)=(−hS+hSId−Id0)=J, the middle factor being J C.

2.1givenstep 1.1step 1.2F1algebra

Clause 3, composition. Since V is C3, its gradient is C2, so each kick is C2 and the drift is smooth. The admissible composition domain is an intersection of finitely many preimages of the open set U under these continuous maps, hence open; their composition Vh=Kh/2∘Dh∘Kh/2 is C2 on it. At each point there, the chain rule of [F1] gives DVh=C1C2C3 with C1=DKh/2 evaluated at Dh(Kh/2(q,p)), C2=DDh evaluated at Kh/2(q,p), and C3=DKh/2 evaluated at (q,p). Each factor satisfies CiTJCi=J by steps 1.1-1.2, so DVhTJ DVh=C3T(C2T(C1TJC1)C2)C3=C3T(C2TJC2)C3=C3TJC3=J.

3.1step 2.1F3∎

Clause 3, form preservation. If the composition domain is empty, the pointwise matrix and form assertions are vacuous. Otherwise it is a phase domain, and the identity of step 2.1 is exactly the matrix condition of [F3] for the C2 map Vh, so Vh∗ωU=ωU on its admissible open domain. The explicit inverse factors are D−h and K−h; reversing the palindrome gives V−h as the inverse on the image wherever the compositions exist. Restriction to these open domains makes Vh a C2 diffeomorphism onto its open image, with C2 inverse V−h, preserving the form. Thus it is a local C2 canonical transformation in Finite-regularity differential forms, Hamiltonian fields and canonical maps in phase charts, without assuming a smooth potential.

Remarks

  • The three factors in step 2.1 satisfy the matrix identity at every point of their domains, so no connectedness or constancy argument is needed. The verification is exact algebra: the proposition asserts exact symplecticity of Vh in exact arithmetic only, and says nothing about floating-point or rounded arithmetic.
  • The identities also show directly that det⁡DVh=±1 where defined; neither determinant sign nor phase-volume preservation is used on this page.

Depends on

Dependency tree · 2 levels

Sources