Related papers: Fast calculation of the electrostatic potential in…
We propose a novel methodology for drawing iid realizations from any target distribution on the Euclidean space with arbitrary dimension. No assumption of compact support is necessary for the validity of our theory and method. Our idea is…
The robustness of XRD methods for the determination of the lattice parameters of crystals is well established. These methods have been extended to helical atomic structures using twisted x-rays \cite{friesecke_twisted_2016}. Building on an…
Simulating charged many-body systems has been a computational demanding task due to the long-range nature of electrostatic interaction. For the multi-scale model of electrolytes which combines the strengths of atomistic/continuum…
The evaluation of long-range potentials in periodic, many-body systems arises as a necessary step in the numerical modeling of a multitude of interesting physical problems. Direct evaluation of these potentials requires O(N^2) operations…
The Yudin-Ivanov formula [Phys. Rev. A 64, 013409 (2001)] is generalized such that the most general analytical expression for single-electron spectra, which includes the dependence on the instantaneous laser phase, is obtained within the…
We set up a method for a recursive calculation of the effective potential which is applied to a cubic potential with imaginary coupling. The result is resummed using variational perturbation theory (VPT), yielding an exponentially fast…
We evaluate imaginary time density-density correlation functions for a two-dimensional homogeneous electron gas using the phaseless auxiliary field quantum Monte Carlo method. We show that such methodology, once equipped with suitable…
This letter is about effective approximation for a stochastic parabolic equation with a large potential in a periodic medium. Under a condition on the spectral properties of the associated cell problem, we prove that the solution can be…
Gradients have been exploited in proposal distributions to accelerate the convergence of Markov chain Monte Carlo algorithms on discrete distributions. However, these methods require a natural differentiable extension of the target discrete…
We present a momentum-resolved study of strong field multiple ionization of ionic targets. Using a deconvolution method we are able to reconstruct the electron momenta from the ion momentum distributions after multiple ionization up to four…
This paper concerns the exponentiation of monomial ideals. While it is customary for the exponentiation operation on ideals to consider natural powers, we extend this notion to powers where the exponent is a positive real number. Real…
Ions are critical to the structure and stability of polyelectrolytes such as nucleic acids. In this work, we systematically calculated the potentials of mean force between two like-charged nanoparticles in salt solutions by Monte Carlo…
We prove the convergence at an exponential rate towards the invariant probability measure for a class of solutions of stochastic differential equations with finite delay. This is done, in this non-Markovian setting, using the cluster…
A method for estimating the relative content of crystalline phases of a multiphase sample, based on probabilistic analysis of the intensities of the diffraction pattern reflexes, has been developed. The method is based on the introduction…
This note gives a few rapidly convergent series representations of the sums of divisors functions. These series have various applications such as exact evaluations of some power series, computing estimates and proving the existence results…
Suppose that u is the potential function of a complete K\"ahler-Einstein metric on a bounded strictly convex domain in $\mathbb{C}^n$. We prove that u itself is strictly convex.
We calculate the scalar potential in the gauged N=2 supergravity with a single hypermultiplet, whose generic quaternionic moduli space metric has an abelian isometry. This isometry is gauged by the use of a graviphoton gauge field. The…
We provide in a unified way quantitative forms of strong convergence results for numerous iterative procedures which satisfy a general type of Fejer monotonicity where the convergence uses the compactness of the underlying set. These…
We introduce a local machine-learning method for predicting the electron densities of periodic systems. The framework is based on a numerical, atom-centred auxiliary basis, which enables an accurate expansion of the all-electron density in…
The exponential rate of convergence for some Markov operators is established. The operators correspond to continuous iterated function systems which are a very useful tool in some cell cycle models.