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Recent developments in path integral methodology have significantly reduced the computational expense of including quantum mechanical effects in the nuclear motion in ab initio molecular dynamics simulations. However, the implementation of…

计算物理 · 物理学 2014-02-06 Michele Ceriotti , Joshua More , David E. Manolopoulos

A path-integral hybrid Monte Carlo approach with enveloping bridging potentials (PIHMC-EBP) is proposed for calculating numerically exact tunneling splittings in molecular systems. The central idea is to construct an approximately…

化学物理 · 物理学 2026-04-15 Yu-Chen Wang , Jeremy O. Richardson

We study a mixed-integer set $S:=\{(x,t) \in \{0,1\}^n \times \mathbb{R}: f(x) \ge t\}$ arising in the submodular maximization problem, where $f$ is a submodular function defined over $\{0,1\}^n$. We use intersection cuts to tighten a…

最优化与控制 · 数学 2023-02-28 Liding Xu , Leo Liberti

Convergence problems in coupled-cluster iterations are discussed, and a new iteration scheme is proposed. Whereas the Jacobi method inverts only the diagonal part of the large matrix of equation coefficients, we invert a matrix which also…

化学物理 · 物理学 2009-11-06 N. Mosyagin , E. Eliav , U. Kaldor

Numerical evaluations of Feynman integrals often proceed via a deformation of the integration contour into the complex plane. While valid contours are easy to construct, the numerical precision for a multi-loop integral can depend…

Feynman integrals play a central role in the modern scattering amplitudes research program. Advancing our methods for evaluating Feynman integrals will, therefore, strengthen our ability to compare theoretical predictions with data from…

高能物理 - 理论 · 物理学 2024-01-03 Henrik J. Munch

We discuss the problem of constructing differential operators for the generalized IBP reduction algorithms at the 2-loop level. A deeply optimized software allows one to efficiently construct such operators for the first non-degenerate…

高能物理 - 理论 · 物理学 2020-07-07 A. A. Radionov , F. V. Tkachov

The first paper of this series introduced objects (elements of twisted relative cohomology) that are Poincar\'e dual to Feynman integrals. We show how to use the pairing between these spaces -- an algebraic invariant called the intersection…

高能物理 - 理论 · 物理学 2022-04-19 Simon Caron-Huot , Andrzej Pokraka

We show that for a class of two-loop diagrams, the on-shell part of the integration-by-parts (IBP) relations correspond to exact meromorphic one-forms on algebraic curves. Since it is easy to find such exact meromorphic one-forms from…

高能物理 - 理论 · 物理学 2016-01-27 Alessandro Georgoudis , Yang Zhang

We present a novel technique for the analytic evaluation of multifold Mellin-Barnes (MB) integrals, which commonly appear in physics, as for instance in the calculations of multi-loop multi-scale Feynman integrals. Our approach is based on…

高能物理 - 理论 · 物理学 2023-09-04 Sumit Banik , Samuel Friot

We describe a new method of calculation of generic multi-loop master integrals based on the numerical solution of systems of difference equations in one variable. We show algorithms for the construction of the systems using…

高能物理 - 唯象学 · 物理学 2009-07-09 S. Laporta

This paper presents a new Markov chain Monte Carlo method to sample from the posterior distribution of conjugate mixture models. This algorithm relies on a flexible split-merge procedure built using the particle Gibbs sampler. Contrary to…

统计计算 · 统计学 2017-05-30 Alexandre Bouchard-Côté , Arnaud Doucet , Andrew Roth

We present a Mathematica package AmpRed for the semi-automatic calculations of multi-loop Feynman amplitudes with high efficiency and precision. AmpRed implements the methods of integration by parts and differential equations in the…

高能物理 - 唯象学 · 物理学 2025-04-14 Wen Chen

Computations over the rational numbers often encounter the problem of intermediate coefficient growth. A solution to this is provided by modular methods, which apply the algorithm under consideration modulo a number of primes and then lift…

The Radial Point Interpolation Mixed Collocation (RPIMC) method is proposed in this paper for transient analysis of diffusion problems. RPIMC is an efficient purely meshless method where the solution of the field variable is obtained…

计算工程、金融与科学 · 计算机科学 2021-10-14 Konstantinos A. Mountris , Esther Pueyo

We suggest a mathematical definition of the notion of master integrals and present a brief review of algorithmic methods to solve reduction problems for Feynman integrals based on integration by parts relations. In particular, we discuss a…

高能物理 - 唯象学 · 物理学 2008-11-26 A. V. Smirnov , V. A. Smirnov

Systematic optimization over a wide power range is often achieved through the combination of modules of different power levels. This paper addresses the issue of enhancing the efficiency of a multiple module system connected in parallel…

系统与控制 · 电气工程与系统科学 2023-11-14 Hanfeng Cai , Haiyang Liu , Heyang Sun , Qiao Wang

In this paper, we describe a numerical approach to evaluate Feynman loop integrals. In this approach the key technique is a combination of a numerical integration method and a numerical extrapolation method. Since the computation is carried…

高能物理 - 唯象学 · 物理学 2011-09-21 F. Yuasa , T. Ishikawa , Y. Kurihara , J. Fujimoto , Y. Shimizu , N. Hamaguchi , E. de Doncker , K. Kato

The program package XLOOPS calculates massive one- and two-loop Feynman diagrams. It consists of five parts: i) a graphical user interface ii) routines for generating diagrams from particle input iii) procedures for calculating one-loop…

高能物理 - 唯象学 · 物理学 2011-02-11 L. Brücher , J. Franzkowski , A. Frink , D. Kreimer

We present a new algorithm for the reduction of one-loop tensor Feynman integrals within the framework of the XLOOPS project, covering both mathematical and programming aspects. The new algorithm supplies a clean way to reduce the one-loop…

高能物理 - 唯象学 · 物理学 2009-11-07 C. Bauer , H. S. Do