相关论文: Exact special twist method for quantum Monte Carlo…

We propose a novel finite element method scheme for singularly perturbed advection-diffusion-reaction problems, which combines certain quantum-assisted stabilization scheme with a classical h-adaptive approach to provide automatic error…

Despite decades of practice, finite-size errors in many widely used electronic structure theories for periodic systems remain poorly understood. For periodic systems using a general Monkhorst-Pack grid, there has been no comprehensive and…

In this paper we compute the leading correction to the bipartite entanglement entropy at large sub-system size, in integrable quantum field theories with diagonal scattering matrices. We find a remarkably universal result, depending only on…

We introduce an approach to find approximate numerical solutions of truncated bootstrap equations for Conformal Field Theories (CFTs) in arbitrary dimensions. The method is based on a stochastic search via a Metropolis algorithm guided by…

Chiral Effective Field Theory ($\chi$EFT) has been extensively used to study the $NN$ interaction during the last three decades. In Effective Field Theories (EFTs) the renormalization is performed order by order including the necessary…

We give a prescription for finding optimized correlation functions for the extraction of the gap to the first excited state within quantum Monte Carlo simulations. We demonstrate that optimized correlation functions provide a more accurate…

Trajectory-based methods that propagate classical nuclei on multiple quantum electronic states are often used to simulate nonadiabatic processes in the condensed phase. A long-standing problem of these methods is their lack of detailed…

We investigate the convergence of quasi-particle energies for periodic systems to the thermodynamic limit using increasingly large simulation cells corresponding to increasingly dense integration meshes in reciprocal space. The…

We perform excited-state variational Monte Carlo and diffusion Monte Carlo calculations using a simple and efficient wave function ansatz. This ansatz follows the recent variation-after-response formalism, accurately approximating a…

We introduce an efficient finite-element approach for large-scale real-space pseudopotential density functional theory (DFT) calculations incorporating noncollinear magnetism and spin-orbit coupling. The approach, implemented within the…

We develop a novel procedure for estimating the optimizer of general convex stochastic optimization problems of the form $\min_{x\in\mathcal{X}} \mathbb{E}[F(x,\xi)]$, when the given data is a finite independent sample selected according to…

We report an essential improvement of the plain Fourier Monte Carlo algorithm that promises to be a powerful tool for investigating critical behavior in a large class of lattice models, in particular those containing microscopic or…

We present a new method, in the following called MMM2D, to accurately calculate the electrostatic energy and forces on charges being distributed in a two dimensional periodic array of finite thickness. It is not based on an Ewald summation…

We present a technique that enables the evaluation of perturbative expansions based on one-loop-renormalized vertices up to large expansion orders. Specifically, we show how to compute large-order corrections to the random phase…

The aim of this article is to construct initial data for the Einstein equations on manifolds of the form R n+1 x T m , which are asymptotically flat at infinity, without assuming any symmetry condition in the compact direction. We use the…

Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in this work is efficiently constructed classically, at…

The development of polynomial cost solvers for correlated quantum impurity models, with controllable errors, is a central challenge in quantum many-body physics, where these models find applications ranging from nano-science to the…

The major resolution-limiting factor in cryoelectron microscopy of unstained biological specimens is radiation damage by the very electrons that are used to probe the specimen structure. To address this problem, an electron microscopy…

We present a new and efficient method for deriving finite-size effects in statistical physics models solvable by Bethe Ansatz. It is based on the study of the functional that maps a function to the sum of its evaluations over the Bethe…

A generalization to the quantum case of a recently introduced algorithm (Y. Tomita and Y. Okabe, Phys. Rev. Lett. {\bf 86}, 572 (2001)) for the determination of the critical temperature of classical spin models is proposed. We describe a…