We present an approach that allows performing computations related to the Baker-Campbell-Haussdorff (BCH) formula and its generalizations in an arbitrary Hall basis, using labeled rooted trees. In particular, we provide explicit formulas (given in terms of the structure of certain labeled rooted trees) of the continuous BCH formula. We develop a rewriting algorithm (based on labeled rooted trees) in the dual Poincaré-Birkhoff-Witt (PBW) basis associated to an arbitrary Hall set, that allows handling Lie series, exponentials of Lie series, and related series written in the PBW basis. At the end of the paper we show that our approach is actually based on an explicit description of an epimorphism ν of Hopf algebras from the commutative Hopf algebra of labeled rooted trees to the shuffle Hopf algebra and its kernel ker ν.

We present new splitting methods designed for the numerical integration of near-integrable Hamiltonian systems, and in particular for planetary N-body problems, when one is interested in very accurate results over a large time span. We derive in a systematic way an independent set of necessary and sufficient conditions to be satisfied by the coefficients of splitting methods to achieve a prescribed order of accuracy. Splitting methods satisfying such (generalized) order conditions are appropriate in particular for the numerical simulation of the Solar System described in Jacobi coordinates. We show that, when using Poincaré Heliocentric coordinates, the same order of accuracy may be obtained by imposing an additional polynomial equation on the coefficients of the splitting method. We construct several splitting methods appropriate for each of the two sets of coordinates by solving the corresponding systems of polynomial equations and finding the optimal solutions. The experiments reported here indicate that the efficiency of our new schemes is clearly superior to previous integrators when high accuracy is required.

A new recursive procedure to compute the Zassenhaus formula up to high order is presented, providing each exponent in the factorization directly as a linear combination of independent commutators and thus containing the minimum number of terms. The recursion can be easily implemented in a symbolic algebra package and requires much less computational effort, both in time and memory resources, than previous algorithms. In addition, by bounding appropriately each term in the recursion, it is possible to get a larger convergence domain of the Zassenhaus formula when it is formulated in a Banach algebra.

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In this article, conditions for the preservation of quadratic and Hamiltonian invariants by numerical methods which can be written as B-series are derived in a purely algebraical way. The existence of a modified invariant is also investigated and turns out to be equivalent, up to a conjugation, to the preservation of the exact invariant. A striking corollary is that a symplectic method is formally conjugate to a method that preserves the Hamitonian exactly. Another surprising consequence is that the underlying one-step method of a symmetric multistep scheme is formally conjugate to a symplectic P-series when applied to Newton's equations of motion.