Related papers: Efficient methods for computing integrals in elect…
The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) is generalized to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules.…
We present a simple yet powerful and applicable quadrature based scheme for constructing optimal iterative methods. According to the, still unproved, Kung-Traub conjecture an optimal iterative method based on $n+1$ evaluations could achieve…
The quadrature of cut elements is crucial for all Finite Element Methods that do not apply boundary-fitted meshes. It should be efficient, accurate, and robust. Various approaches balancing these requirements have been published, with some…
We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…
We propose a new approach that allows for the separate numerical calculation of the real and imaginary parts of finite loop integrals. We find that at one-loop the real part is given by the Loop-Tree Duality integral supplemented with…
Integration by parts (IBP) has acquired a bad reputation. While it allows us to compute a wide variety of integrals when other methods fall short, its implementation is often seen as plodding and confusing. Readers familiar with tabular IBP…
This work proposes a suite of numerical techniques to facilitate the design of structure-preserving integrators for nonlinear dynamics. The celebrated LaBudde-Greenspan integrator and various energy-momentum schemes adopt a difference…
We show that the new relation between master integrals recently obtained in Ref. [1] can be reproduced using the integration-by-parts technique implemented with an effective mass. In fact, this relation is recovered as a special case of a…
This paper presents a method for computing two-dimensional constant mean curvature surfaces. The method in question uses the variational aspect of the problem to implement an efficient algorithm. In principle it is a flow like method in…
Algorithms for numerical computation of symmetric elliptic integrals of all three kinds are improved in several ways and extended to complex values of the variables (with some restrictions in the case of the integral of the third kind).…
An accurate method to compute enclosures of Abelian integrals is developed. This allows for an accurate description of the phase portraits of planar polynomial systems that are perturbations of Hamiltonian systems. As an example, it is…
One of the most effective techniques of experimental mathematics is to compute mathematical entities such as integrals, series or limits to high precision, then attempt to recognize the resulting numerical values. Recently these techniques…
We derive formulas which connect cumulants of particle numbers observed with efficiency losses with the original ones based on the binomial model. These formulas can describe the case with multiple efficiencies in a compact form. Compared…
One-hundred-nm-scale electronic structure calculations were carried out on the K supercomputer by our original simulation code ELSES (http://www.elses.jp/) The present paper reports preliminary results of transport calculations for…
The recently developed energy conserving semi-implicit method (ECsim) for PIC simulation is applied to multiple scale problems where the electron-scale physics needs to be only partially retained and the interest is on the macroscopic or…
This paper presents a high-order accurate numerical quadrature algorithm for evaluating integrals over curved surfaces and regions defined implicitly via a level set of a given function restricted to a hyperrectangle. The domain is divided…
The true power of computational research typically can lay in either what it accomplishes or what it enables others to accomplish. In this work, both avenues are simultaneously embraced across several distinct efforts existing at three…
We present an efficient algorithm for calculating multiloop Feynman integrals perturbatively.
The method for functional reduction of Feynman integrals, proposed by the author, is used to calculate one-loop integrals corresponding to diagrams with four external lines. The integrals that emerge from amplitudes for the scattering of…
This paper introduces an efficient algorithm for computing the general oscillatory matrix functions. These computations are crucial for solving second-order semi-linear initial value problems. The method is exploited using the scaling and…