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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…

Computational Physics · Physics 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…

Chemical Physics · Physics 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…

Optimization and Control · Mathematics 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…

Chemical Physics · Physics 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…

High Energy Physics - Phenomenology · Physics 2023-05-22 Ramon Winterhalder , Vitaly Magerya , Emilio Villa , Stephen P. Jones , Matthias Kerner , Anja Butter , Gudrun Heinrich , Tilman Plehn

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…

High Energy Physics - Theory · Physics 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…

High Energy Physics - Theory · Physics 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…

High Energy Physics - Theory · Physics 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…

High Energy Physics - Theory · Physics 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…

High Energy Physics - Theory · Physics 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…

High Energy Physics - Phenomenology · Physics 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…

Computation · Statistics 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…

High Energy Physics - Phenomenology · Physics 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…

Algebraic Geometry · Mathematics 2024-01-23 Dirk Basson , Janko Boehm , Magdaleen S. Marais , Mirko Rahn , Hobihasina P. Rakotoarisoa

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…

Computational Engineering, Finance, and Science · Computer Science 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…

High Energy Physics - Phenomenology · Physics 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…

Systems and Control · Electrical Eng. & Systems 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…

High Energy Physics - Phenomenology · Physics 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…

High Energy Physics - Phenomenology · Physics 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…

High Energy Physics - Phenomenology · Physics 2009-11-07 C. Bauer , H. S. Do
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