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Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic…

Chemical Physics · Physics 2020-05-27 E. Aprà , E. J. Bylaska , W. A. de Jong , N. Govind , K. Kowalski , T. P. Straatsma , M. Valiev , H. J. J. van Dam , Y. Alexeev , J. Anchell , V. Anisimov , F. W. Aquino , R. Atta-Fynn , J. Autschbach , N. P. Bauman , J. C. Becca , D. E. Bernholdt , K. Bhaskaran-Nair , S. Bogatko , P. Borowski , J. Boschen , J. Brabec , A. Bruner , E. Cauët , Y. Chen , G. N. Chuev , C. J. Cramer , J. Daily , M. J. O. Deegan , T. H. Dunning , M. Dupuis , K. G. Dyall , G. I. Fann , S. A. Fischer , A. Fonari , H. Früuchtl , L. Gagliardi , J. Garza , N. Gawande , S. Ghosh , K. Glaesemann , A. W. Götz , J. Hammond , V. Helms , E. D. Hermes , K. Hirao , S. Hirata , M. Jacquelin , L. Jensen , B. G. Johnson , H. Jónsson , R. A. Kendall , M. Klemm , R. Kobayashi , V. Konkov , S. Krishnamoorthy , M. Krishnan , Z. Lin , R. D. Lins , R. J. Littlefield , A. J. Logsdail , K. Lopata , W. Ma , A. V. Marenich , J. Martin del Campo , D. Mejia-Rodriguez , J. E. Moore , J. M. Mullin , T. Nakajima , D. R. Nascimento , J. A. Nichols , P. J. Nichols , J. Nieplocha , A. Otero de la Roza , B. Palmer , A. Panyala , T. Pirojsirikul , B. Peng , R. Peverati , J. Pittner , L. Pollack , R. M. Richard , P. Sadayappan , G. C. Schatz , W. A. Shelton , D. W. Silverstein , D. M. A. Smith , T. A. Soares , D. Song , M. Swart , H. L. Taylor , G. S. Thomas , V. Tipparaju , D. G. Truhlar , K. Tsemekhman , T. Van Voorhis , Á. Vázquez-Mayagoitia , P. Verma , O. Villa , A. Vishnu , K. D. Vogiatzis , D. Wang , J. H. Weare , M. J. Williamson , T. L. Windus , K. Woliński , A. T. Wong , Q. Wu , C. Yang , Q. Yu , M. Zacharias , Z. Zhang , Y. Zhao , R. J. Harrison

A numerical irreducible decomposition for a polynomial system provides representations for the irreducible factors of all positive dimensional solution sets of the system, separated from its isolated solutions. Homotopy continuation methods…

Mathematical Software · Computer Science 2018-06-19 Jan Verschelde

The main goal of this article is to present new types of inequalities refining and reversing inequalities of the harmonic mean of scalars and matrices. Furthermore, implementing the spectral decomposition of positive matrices, we present a…

Functional Analysis · Mathematics 2018-05-18 Mohammad Sababheh

Equilibrium logic is an approach to nonmonotonic reasoning that extends the stable-model and answer-set semantics for logic programs. In particular, it includes the general case of nested logic programs, where arbitrary Boolean combinations…

Logic in Computer Science · Computer Science 2009-12-30 David Pearce , Hans Tompits , Stefan Woltran

A nested coordinate system is a reassigning of independent variables to take advantage of geometric or symmetry properties of a particular application. Polar, cylindrical and spherical coordinate systems are primary examples of such a…

General Mathematics · Mathematics 2021-01-05 Garret Sobczyk

We present a simple algebraic method for the analytic continuation of harmonic sums with integer real or purely imaginary indices near negative and positive integers. We provide a MATHEMATICA code for exact expansion of harmonic sums in a…

High Energy Physics - Theory · Physics 2023-06-07 V. N. Velizhanin

We present several types of ordinary generating functions involving central binomial coefficients, harmonic numbers, and odd harmonic numbers. Our results complement those of Boyadzhiev from 2012 and Chen from 2016. Based on these…

Combinatorics · Mathematics 2024-01-08 Kunle Adegoke , Robert Frontczak , Taras Goy

The purpose of this note is to survey a methodology to solve systems of polynomial equations and inequalities. The techniques we discuss use the algebra of multivariate polynomials with coefficients over a field to create large-scale linear…

Optimization and Control · Mathematics 2011-12-08 Jesus A. De Loera , Peter N. Malkin , Pablo A. Parrilo

The alternating multiple harmonic sums are partial sums of the infinite series defining the Euler sums which are the alternating version of the multiple zeta value series. In this paper, we present some systematic structural results of the…

Number Theory · Mathematics 2015-11-30 Jianqiang Zhao

We study three classes of combinatorial sums involving central binomial coefficients and harmonic numbers, odd harmonic numbers, and even indexed harmonic numbers, respectively. In each case we use summation by parts to derive recursive…

Number Theory · Mathematics 2025-05-16 Kunle Adegoke , Robert Frontczak

We develop new closed form representations of sums of (n + {\alpha})th shifted harmonic numbers and reciprocal binomial coefficients in terms of {\alpha}th shifted harmonic numbers. Some interesting new consequences and illustrative…

Number Theory · Mathematics 2017-03-30 Ce Xu

We show how infinite series of a certain type involving generalized harmonic numbers can be computed using a knowledge of symmetric functions and multiple zeta values. In particular, we prove and generalize some identities recently…

Number Theory · Mathematics 2017-01-17 Michael E. Hoffman

We give explicit evaluations of the linear and non-linear Euler sums of hyperharmonic numbers $h_{n}^{\left( r\right) }$ with reciprocal binomial coefficients. These evaluations enable us to extend closed form formula of Euler sums of…

Number Theory · Mathematics 2021-03-23 Levent Kargın , Mümün Can , Ayhan Dil , Mehmet Cenkci

We derive the structural relations between nested harmonic sums and the corresponding Mellin transforms of Nielsen integrals and harmonic polylogarithms at weight {\sf w = 6}. They emerge in the calculations of massless single--scale…

Mathematical Physics · Physics 2010-11-11 Johannes Blümlein

In this short survey article, we showcase a number of non-trivial geometric problems that have recently been resolved by marrying methods from functional calculus and real-variable harmonic analysis. We give a brief description of these…

Differential Geometry · Mathematics 2019-09-18 Lashi Bandara

These lectures given to graduate students in theoretical particle physics, provide an introduction to the ``inner workings'' of computer algebra systems. Computer algebra has become an indispensable tool for precision calculations in…

High Energy Physics - Phenomenology · Physics 2007-05-23 Stefan Weinzierl

Fully automatic worst-case complexity analysis has a number of applications in computer-assisted program manipulation. A classical and powerful approach to complexity analysis consists in formally deriving, from the program syntax, a set of…

Mathematical Software · Computer Science 2007-05-23 Roberto Bagnara , Andrea Pescetti , Alessandro Zaccagnini , Enea Zaffanella

We present trainsum, a versatile Python package for doing computations with multidimensional quantics tensor trains: https://github.com/fh-igd-iet/trainsum. Using the Array API standard together with opt_einsum, trainsum allows the…

Mathematical Software · Computer Science 2026-02-25 Paul Haubenwallner , Matthias Heller

This survey article is concerned with the modeling of the kinematical structure of quantum systems in an algebraic framework which eliminates certain conceptual and computational difficulties of the conventional approaches. Relying on the…

Mathematical Physics · Physics 2013-06-10 Detlev Buchholz , Hendrik Grundling

This paper describes an approach to computer aided calculations in the cohomology of arithmetic groups. It complements existing literature on the topic by emphasizing homotopies and perturbation techniques, rather than cellular subdivision,…

Number Theory · Mathematics 2025-08-26 Graham Ellis