相关论文: Performance of numerical approximation on the calc…
The wavefunction for the multiparticle Schr\"odinger equation is a function of many variables and satisfies an antisymmetry condition, so it is natural to approximate it as a sum of Slater determinants. Many current methods do so, but they…
In this paper we present a full discretization of the layer potentials and boundary integral operators for the elastic wave equation on a parametrizable smooth closed curve in the plane. The method can be understood as a non-conforming…
A parallel implementation of coupled spin-lattice dynamics in the LAMMPS molecular dynamics package is presented. The equations of motion for both spin only and coupled spin-lattice dynamics are first reviewed, including a detailed account…
We implement and investigate the numerical properties of a new family of integrators connecting both variants of the symplectic Euler schemes, and including an alternative to the classical symplectic mid-point scheme, with some additional…
We consider the numerical integration of the matrix Hill's equation. Parametric resonances can appear and this property is of great interest in many different physical applications. Usually, the Hill's equations originate from a Hamiltonian…
We present a study of the two dimensional circular quantum dot model Hamiltonian using a range of quantum chemical ab initio methods. Ground and excited state energies are computed on different levels of perturbation theories including the…
A new, second-order solution in curvilinear coordinates is introduced for the relative motion of two spacecraft on eccentric orbits. The second-order equations for unperturbed orbits are derived in spherical coordinates with true anomaly as…
We perform a detailed analysis of the different types of orbits in the Coulomb Quantum Orbit Strong-field Approximation (CQSFA), ranging from direct to those undergoing hard collisions. We show that some of them exhibit clear counterparts…
We present the first benchmark evaluation of the two-loop finite remainders for the production of a top-quark pair in association with a jet at hadron colliders in the gluon channel. We work in the leading colour approximation, and perform…
We investigate a quantum nonrelativistic system describing the interaction of two particles with spin 1/2 and spin 0, respectively. We assume that the Hamiltonian is rotationally invariant and parity conserving and identify all such systems…
In this paper we study the performance of a symplectic numerical integrator based on the splitting method. This method is applied to a subtle problem i.e. higher order resonance of the elastic pendulum. In order to numerically study the…
We present the analytic computation of a family of non-planar master integrals which contribute to the two-loop scattering amplitudes for Higgs plus one jet production, with full heavy-quark mass dependence. These are relevant for the NNLO…
Electronic structure methods for accurate calculation of molecular properties have a high cost that grows steeply with the problem size, therefore, it is helpful to have the underlying atomic basis functions that are less in number but of…
We introduce an emulator approach to predict the non-linear matter power spectrum for broad classes of beyond-$\Lambda$CDM cosmologies, using only a suite of $\Lambda$CDM $N$-body simulations. By including a range of suitably modified…
With a semiclassical quasi-static model we achieve an insight into the complex dynamics of two correlated electrons under the combined influence of a two-center Coulomb potential and an intense laser field. The model calculation is able to…
We devise a posteriori error estimators for quasi-optimal nonconforming finite element methods approximating symmetric elliptic problems of second and fourth order. These estimators are defined for all source terms that are admissible to…
While the treatment of chemically relevant systems containing hundreds or even thousands of electrons remains beyond the reach of quantum devices, the development of quantum-classical hybrid algorithms to resolve electronic correlation…
The analysis of correlation energy of the simplest first approximation of a variational method for the intrashell states of two-electron atoms is the purpose of the present work. This method allows to divide energy of atom on Coulomb and…
The Coulomb logarithm often enters various plasma models and simulation methods for computing the transport and relaxation properties of plasmas. Traditionally, a classical pair collision picture was used to calculate the Coulomb logarithm…
We present the Master Integrals needed for the calculation of the two-loop QCD corrections to the forward-backward asymmetry of a quark-antiquark pair produced in electron-positron annihilation events. The abelian diagrams entering in the…