相关论文: New approximation to compute the incoherent scatte…

The variational stochastic self-consistent harmonic approximation is combined with the calculation of third-order anharmonic coefficients within density-functional perturbation theory and the "$2n+1$" theorem to calculate anharmonic…

In this paper we examine iterative methods for solving the forward ($A{\bf x}={\bf b}$) and adjoint ($A^{T}{\bf y}={\bf g}$) systems of linear equations used to approximate the scattering amplitude, defined by ${\bf g}^{T}{\bf x}={\bf…

We investigate an alternative to the Sequential Propagator Method used in Lattice QCD calculations of semileptonic form factors. We replace the sequential propagator with a stochastic propagator so that, in principle, all momentum and sink…

Based on a quantitative version of the inverse function theorem and an appropriate saddle-point formulation we derive a quasi-optimal error estimate for the finite element approximation of harmonic maps into spheres with a nodal…

Prediction of lattice thermal conductivity is important to many applications and technologies, especially for high-throughput materials screening. However, the state-of-the-art method based on three-phonon scattering process is bound with…

Knowledge of lattice anharmonicity is essential to elucidate distinctive thermal properties in crystalline solids. Yet, accurate \textit{ab initio} investigations of lattice anharmonicity encounter difficulties owing to the cumbersome…

In this work we provide a non-perturbative solution to the theoretical problem of extracting scattering amplitudes from Euclidean correlators in infinite volume. We work within the solid axiomatic framework of the Haag-Ruelle scattering…

The scattering amplitude in the dual model with Mandelstam analyticity and trajectory $\alpha (s)=\alpha_{0}-\gamma \ln [ (1+\beta \sqrt{s_{0} -s})/(1+ \beta \sqrt{s_{0}})]$ is studied in the limit $s,|t|\to \infty, s/t=const.$ By using the…

We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…

Harmonic calculations based on density-functional theory are generally the method of choice for the description of phonon spectra of metals and insulators. The inclusion of anharmonic effects is, however, delicate as it relies on…

We present in this paper a spectrally accurate numerical method for computing the spherical/vector spherical harmonic expansion of a function/vector field with given (elemental) nodal values on a spherical surface. Built upon suitable…

We present our preliminary results on the calculation of hadronic light-by-light forward scattering amplitudes using vector four-point correlation functions computed on the lattice. Using a dispersive approach, forward scattering amplitudes…

For chaotic scattering on quantum graphs, the semiclassical approximation is exact. We use this fact and employ supersymmetry, the colour-flavour transformation, and the saddle-point approximation to calculate the exact expression for the…

In this paper we propose and analyse a hybrid numerical-asymptotic boundary element method for the solution of problems of high frequency acoustic scattering by a class of sound-soft nonconvex polygons. The approximation space is enriched…

We determine the Lagrange function in Taylor polynomial approximation by solving an appropriate initial-value problem. Hence, we determine the remainder term which we then approximate by means of a natural cubic spline. This results in a…

The value of a highly oscillatory integral is typically determined asymptotically by the behaviour of the integrand near a small number of critical points. These include the endpoints of the integration domain and the so-called stationary…

Motivated by applications to acoustic imaging, the present work establishes a framework to analyze scattering for the one-dimensional wave, Helmholtz, Schr\"odinger and Riccati equations that allows for coefficients which are more singular…

We propose a boundary element method for problems of time-harmonic acoustic scattering by multiple obstacles in two dimensions, at least one of which is a convex polygon. By combining a Hybrid Numerical Asymptotic (HNA) approximation space…

We introduce a new numerical method for solving time-harmonic acoustic scattering problems. The main focus is on plane waves scattered by smoothly varying material inhomogeneities. The proposed method works for any frequency $\omega$, but…

We describe a new approach for evaluating hadronic correlation functions which combines Laplacian-Heaviside quark smearing with a stochastic estimator of quark propagators. This method utilizes noise dilution in a new way to reduce the…