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We propose a unique scheme to construct fully optimized atomic basis sets for density-functional calculations. The shapes of the radial functions are optimized by minimizing the {\it spillage} of the wave functions between the atomic…

Materials Science · Physics 2015-05-19 Mohan Chen , G-C Guo , Lixin He

In this paper, we study the supports of measures in multiplicative free semigroups on the positive real line and on the unit circle. We provide formulas for the density of the absolutely continuous parts of measures in these semigroups. The…

Complex Variables · Mathematics 2013-02-20 Hao-Wei Huang , Ping Zhong

Given a metric space $(X,d)$, a set $S\subseteq X$ is called a $k$-\emph{metric generator} for $X$ if any pair of different points of $X$ is distinguished by at least $k$ elements of $S$. A $k$-\emph{metric basis} is a $k$-metric generator…

General Topology · Mathematics 2020-03-24 Samuel G. Corregidor , Álvaro Martínez-Pérez

A long-standing open problem asks if there can exist 7 mutually unbiased bases (MUBs) in $\mathbb{C}^6$, or, more generally, $d + 1$ MUBs in $\mathbb{C}^d$ for any $d$ that is not a prime power. The recent work of Kolountzakis, Matolcsi,…

Optimization and Control · Mathematics 2022-03-01 Afonso S. Bandeira , Nikolaus Doppelbauer , Dmitriy Kunisky

We address the problem of constructing positive operator-valued measures (POVMs) in finite dimension $n$ consisting of $n^2$ operators of rank one which have an inner product close to uniform. This is motivated by the related question of…

Quantum Physics · Physics 2023-11-27 Andreas Klappenecker , Martin Roetteler , Igor Shparlinski , Arne Winterhof

We introduce a general framework to deterministically construct binary measurement matrices for compressed sensing. The proposed matrices are composed of (circulant) permutation submatrix blocks and zero submatrix blocks, thus making their…

Information Theory · Computer Science 2014-09-26 Xin-Ji Liu , Shu-Tao Xia , Tao Dai

Quantum systems with variables in ${\mathbb Z}(d)$ are considered, and three different structures are studied. The first is weak mutually unbiased bases, for which the absolute value of the overlap of any two vectors in two different bases…

Quantum Physics · Physics 2016-07-06 T. Olupitan , C. Lei , A. Vourdas

Quantum measurements based on mutually unbiased bases are commonly used in quantum information processing, as they are generally viewed as being maximally incompatible and complementary. Here we quantify precisely the degree of…

Quantum Physics · Physics 2020-04-20 Sébastien Designolle , Paul Skrzypczyk , Florian Fröwis , Nicolas Brunner

A complete set of N+1 mutually unbiased bases (MUBs) forms a convex polytope in the N^2-1 dimensional space of NxN Hermitian matrices of unit trace. As a geometrical object such a polytope exists for all values of N, while it is unknown…

Quantum Physics · Physics 2007-05-23 Ingemar Bengtsson , Asa Ericsson

Geometric involutive bases for polynomial systems of equations have their origin in the prolongation and projection methods of the geometers Cartan and Kuranishi for systems of PDE. They are useful for numerical ideal membership testing and…

Algebraic Geometry · Mathematics 2014-05-29 Greg Reid , Fei Wang , Wenyuan Wu

We show that a symmetric informationally-complete positive operator-valued measure exists in a given dimension $d$ if and only if there exists a $d^2$-dimensional operator system satisfying certain order-theoretic conditions. We also…

Quantum Physics · Physics 2025-11-07 Travis B. Russell

The performance of basis sets made of numerical atomic orbitals is explored in density-functional calculations of solids and molecules. With the aim of optimizing basis quality while maintaining strict localization of the orbitals, as…

Materials Science · Physics 2009-11-07 Javier Junquera , Oscar Paz , Daniel Sanchez-Portal , Emilio Artacho

The evaluation of heuristic optimizers on test problems, better known as \emph{benchmarking}, is a cornerstone of research in multi-objective optimization. However, most test problems used in benchmarking numerical multi-objective black-box…

Optimization and Control · Mathematics 2026-01-26 Lennart Schäpermeier , Pascal Kerschke

Some real functions f induce mean of positive numbers and the matrix monotonicity gives a possibility for means of positive definite matrices. Moreover, such a function f can define linear mapping beta on matrices (which is basic in the…

Functional Analysis · Mathematics 2010-12-22 Adam Besenyei , Denes Petz

For a nonempty compact set D of R we determine the maximal possible dimension of a subspace X of polynomial functions of degree at most m which possesses a positive bases (where positivity is understood on D). The exact value of this…

Classical Analysis and ODEs · Mathematics 2007-08-22 Bálint Farkas , Szilárd Gy. Révész

Mutually unbiased bases determine an optimal set of measurements to extract complete information about the quantum state of a system. However, quite often a priori information about the state exist, making some of the measurement bases…

Quantum Physics · Physics 2015-06-12 A. B. Klimov , G. Bjork , L. L. Sanchez-Soto

The question of determining the maximal number of mutually unbiased bases in dimension six has received much attention since their introduction to quantum information theory, but a definitive answer has still not been found. In this paper…

Quantum Physics · Physics 2009-11-13 Paul Butterley , William Hall

We present a new approach to the problem of mutually unbiased bases (MUBs), based on positive definite functions on the unitary group. The method provides a new proof of the fact that there are at most $d+1$ MUBs in ${\mathbb C}^d$. It may…

Quantum Physics · Physics 2016-12-30 Mihail N. Kolountzakis , Máté Matolcsi , Mihály Weiner

A complex Hilbert space of dimension six supports at least three but not more than seven mutually unbiased bases. Two computer-aided analytical methods to tighten these bounds are reviewed, based on a discretization of parameter space and…

Quantum Physics · Physics 2011-02-10 Stephen Brierley , Stefan Weigert

The resource theoretic measure of quantum coherence is basis dependent, and the amount of coherence contained in a state is different in different bases. We obtained analytical solutions for the maximum coherence by optimizing the reference…

Quantum Physics · Physics 2017-11-13 Ming-Liang Hu , Shu-Qian Shen , Heng Fan