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With the development of low order scaling methods for performing Kohn-Sham Density Functional Theory, it is now possible to perform fully quantum mechanical calculations of systems containing tens of thousands of atoms. However, with an…
Recently, a novel method based on coding partitions [1]-[4] has been used to derive power series expansions to previously intractable problems. In this method the coefficients at $k$ are determined by summing the contributions made by each…
Symplectic integration algorithms are well-suited for long-term integrations of Hamiltonian systems because they preserve the geometric structure of the Hamiltonian flow. However, this desirable property is generally lost when adaptive…
For two integers $a$ and $b$, the plum-blossom product of $a$ and $b$ is defined as the ones of the usual product of $a$ and $b$ if the ones is less than or equal to $3$, or otherwise as the ones minus $10$. Under this operation, all…
For the inclusion problem involving two maximal monotone operators, under the metric subregularity of the composite operator, we derive the linear convergence of the generalized proximal point algorithm and several splitting algorithms,…
Modified Hamiltonian Monte Carlo (MHMC) methods combine the ideas behind two popular sampling approaches: Hamiltonian Monte Carlo (HMC) and importance sampling. As in the HMC case, the bulk of the computational cost of MHMC algorithms lies…
Dynamics of a charged particle in the canonical coordinates is a Hamiltonian system, and the well-known symplectic algorithm has been regarded as the de facto method for numerical integration of Hamiltonian systems due to its long-term…
We show that, when applied to any non-canonical Hamiltonian system, any integrator that is symplectic for canonical Hamiltonian problems is actually conjugate symplectic for the non-canonical structure. This result is useful because it…
Explicit formulas are indicated that compute the product $z \cdot w$ of a level-one element $z \in KK^G(A,{\bf C})$ and any element $w \in KK^G({\bf C},B)$ in splitexact algebraic $KK^G$-theory, or $KK^G$-theory for $C^*$-algebras, with…
In this paper we propose a resolvent splitting with minimal lifting for finding a zero of the sum of $n\ge 2$ maximally monotone operators involving the composition with a linear bounded operator. The resolvent of each monotone operator,…
For an $m$-summable operator $A$ in a separable Hilbert space the higher regularized Fredholm determinant $\det\nolimits_m(I+A)$ generalizes the classical Fredholm determinant. Recently, Britz et al presented a proof of a product formula \[…
Splitting methods for the numerical integration of differential equations of order greater than two involve necessarily negative coefficients. This order barrier can be overcome by considering complex coefficients with positive real part.…
This paper illuminates the derivation, the applicability, and the efficiency of the Multiplicative Runge-Kutta Method, derived in the frame- work of geometric multiplicative calculus. The removal of the restrictions of geometric…
In this paper is considered a problem of defining natural star-products on symplectic manifolds, admissible for quantization of classical Hamiltonian systems. First, a construction of a star-product on a cotangent bundle to an Euclidean…
The operator product expansion is used to compute the matrix elements of composite renormalized operators on the lattice. We study the product of two fundamental fields in the two-dimensional sigma-model and discuss the possible sources of…
The main purpose of this work is to present a SIMD-vectorized implementation of the symplectic 16th-order 8-stage implicit Runge-Kutta integrator based on collocation with Gauss-Legendre nodes (IRKGL16-SIMD), and to show that it can…
We present a practical algorithm based on symplectic splitting methods to integrate numerically in time the Schr\"odinger equation. When discretized in space, the Schr\"odinger equation can be recast as a classical Hamiltonian system…
In this paper, we combine the operator splitting methodology for abstract evolution equations with that of stochastic methods for large-scale optimization problems. The combination results in a randomized splitting scheme, which in a given…
We study $\mathcal{O}$-operators and post-Lie products over the same Lie algebra compatible in a certain sense. We prove that the group product corresponding to the formal integration of the Lie algebra, which is adjacent to the sum of two…
Splitting-based time integration approaches such as fractional steps, alternating direction implicit, operator splitting, and locally one-dimensional methods partition the system of interest into components and solve individual components…