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The analytic energy gradients with respect to nuclear motion are derived for natural orbital functional (NOF) theory. The resulting equations do not require to resort to linear-response theory, so the computation of NOF energy gradients is…

Chemical Physics · Physics 2017-09-13 Ion Mitxelena , Mario Piris

A natural kind of compactification of the virtual moduli spaces of rational functions of one complex variable is given. To describe the boundary points geometrically, the authors introduce the concept of rational functions with nodes,…

Complex Variables · Mathematics 2016-02-16 Masayo Fujimura , Masahiko Taniguchi

A class of rational functions characterized by some wonderful properties is studied. The properties that identify this class include simple algebra (their inverses can be expressed in radicals), simple topology (the total space of the…

Algebraic Geometry · Mathematics 2010-05-25 Yuri Burda

We show how rational function approximations to the logarithm, such as $\log z \approx (z^2 - 1)/(z^2 + 6z + 1)$, can be turned into fast algorithms for approximating the determinant of a very large matrix. We empirically demonstrate that…

Data Structures and Algorithms · Computer Science 2024-05-07 Thomas Colthurst , Srinivas Vasudevan , James Lottes , Brian Patton

We give quantitative bounds for the number of quasi-integral points in orbits of semigroups of rational maps under some conditions, generalizing previous work of L. C. Hsia and J. Silverman (2011) for orbits generated by the iterations of…

Number Theory · Mathematics 2019-05-13 Jorge Mello

Let $P\in\mathbb{P}_1(\mathbb{Q})$ be a periodic point for a monic polynomial with coefficients in $\mathbb{Z}$. With elementary techniques one sees that the minimal periodicity of $P$ is at most $2$. Recently we proved a generalization of…

Number Theory · Mathematics 2016-01-28 Jung Kyu Canci , Laura Paladino

A finite number of rational functions are compatible if they satisfy the compatibility conditions of a first-order linear functional system involving differential, shift and q-shift operators. We present a theorem that describes the…

Symbolic Computation · Computer Science 2013-01-24 Shaoshi Chen , Ruyong Feng , Guofeng Fu , Ziming Li

We give a new method for the evaluation of a class of integrals of rational symmetric functions in N pairs of variables {x_a, y_a}_{a=1,... N} arising in coupled matrix models, valid for a broad class of two-variable measures. The result is…

Mathematical Physics · Physics 2007-05-23 J. Harnad , A. Yu. Orlov

In this paper we consider the problem of working with rational functions in a numeric environment. A particular problem when modeling with such functions is the existence of Froissart doublets, where a zero is close to a pole. We discuss…

Numerical Analysis · Mathematics 2016-05-03 Bernhard Beckermann , George Labahn , Ana C. Matos

We describe an approximate rational arithmetic with round-off errors (both absolute and relative) controlled by the user. The rounding procedure is based on the continued fraction expansion of real numbers. Results of computer experiments…

Numerical Analysis · Mathematics 2025-10-20 Grigori Litvinov , Anatoli Rodionov , Andrei Chourkin

Fix a rational basepoint b and a rational number c. For the quadratic dynamical system f_c(x) = x^2+c, it has been shown that the number of rational points in the backward orbit of b is bounded independent of the choice of rational…

Number Theory · Mathematics 2010-02-08 X. W. C. Faber

This paper proposes a unique optimization approach for estimating the minimax rational approximation and its application for evaluating matrix functions. Our method enables the extension to generalized rational approximations and has the…

Numerical Analysis · Mathematics 2025-04-03 Nir Sharon , Vinesha Peiris , Nadia Sukhorukova , Julien Ugon

It is classical that univariate algebraic functions satisfy linear differential equations with polynomial coefficients. Linear recurrences follow for the coefficients of their power series expansions. We show that the linear differential…

Symbolic Computation · Computer Science 2008-04-03 Alin Bostan , Frédéric Chyzak , Bruno Salvy , Grégoire Lecerf , Éric Schost

We present a new algorithm to compute minimal telescopers for rational functions in two discrete variables. As with recent reduction-based approaches, our algorithm has the important feature that the computation of a telescoper is…

Symbolic Computation · Computer Science 2021-08-10 Mark Giesbrecht , Hui Huang , George Labahn , Eugene Zima

We here present three characterizations of not necessarily causal, rational functions which are (co)-isometric on the unit circle: (i) Through the realization matrix of Schur stable systems. (ii) The Blaschke-Potapov product, which is then…

Complex Variables · Mathematics 2015-01-06 Daniel Alpay , Palle Jorgensen , Izchak Lewkowicz

Regarding quaternions as normal matrices, we first characterize the $2\times 2$ matrix-valued functions, defined on subsets of quaternions, whose values are quaternions. Then we investigate the regularity of quaternionic-valued functions,…

Functional Analysis · Mathematics 2019-02-12 Florian-Horia Vasilescu

The classic model of computable randomness considers martingales that take real or rational values. Recent work by Bienvenu et al. (2012) and Teutsch (2014) shows that fundamental features of the classic model change when the martingales…

Logic · Mathematics 2015-04-16 Ron Peretz

Algorithms for computing rational generating functions of solutions of one-dimensional difference equations are well-known and easy to implement. We propose an algorithm for computing rational generating functions of solutions of…

Combinatorics · Mathematics 2019-11-05 Alexey A. Kytmanov , Alexander P. Lyapin , Timur M. Sadykov

This paper considers the problem of minimizing the ordered weighted average (or ordered median) function of finitely many rational functions over compact semi-algebraic sets. Ordered weighted averages of rational functions are not, in…

Optimization and Control · Mathematics 2011-06-30 V. Blanco , S. El-Haj Ben-Ali , J. Puerto

We develop the theory of minimal realizations and factorizations of rational functions where the coefficient space is a ring of the type introduced in our previous work, the scaled quaternions, which includes as special cases the…

Functional Analysis · Mathematics 2024-11-12 Daniel Alpay , Ilwoo Cho , Mihaela Vajiac