### 171548 results

Contributors: T. Loke, J.B. Wang, Y.H. Chen

Date: 2019-12-05

... Abstract The software package Qcompiler (Chen and Wang 2013) provides a general quantum compilation framework, which maps any given unitary operation into a quantum circuit consisting of a sequential set of elementary quantum gates. In this paper, we present an extended software OptQC, which finds permutation matrices P and Q for a given unitary matrix U such that the number of gates in the quantum circuit of U = Q^TP^T U'PQ is significantly reduced, where U? is equivalent to U up to a permutation a... Title of program: OptQC Catalogue Id: AEUA_v1_0 Nature of problem It aims to minimise the number of quantum gates required to implement a given unitary operation. Versions of this program held in the CPC repository in Mendeley Data AEUA_v1_0; OptQC; 10.1016/j.cpc.2014.07.022 AEUA_v1_3; OptQC v1.3; 10.1016/j.cpc.2016.05.028 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

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Contributors: Géza Tóth

Date: 2019-12-05

... Abstract A program package for MATLAB is introduced that helps calculations in quantum information science and quantum optics. It has commands for the following operations: (i) Reordering the qudits of a quantum register, computing the reduced state of a quantum register. (ii) Defining important quantum states easily. (iii) Formatted input and output for quantum states and operators. (iv) Constructing operators acting on given qudits of a quantum register and constructing spin chain Hamiltonians. (v) ... Title of program: QUBIT4MATLAB V3.0 Catalogue Id: AEAZ_v1_0 Nature of problem Subroutines helping calculations in quantum information science and quantum optics. Versions of this program held in the CPC repository in Mendeley Data AEAZ_v1_0; QUBIT4MATLAB V3.0; 10.1016/j.cpc.2008.03.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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Contributors: R. Odorico

Date: 2019-12-05

... Abstract An updated version of the Monte Carlo program COJETS is presented. The program simulates p -p and p-p interactions at high energy. It covers: (i) purely hadronic production, including particles with charm, bottom and top; (ii) weak Drell-Yan production of the W and Z vector bosons; (iii) electromagnetic Drell-Yan production of charged lepton pairs. The simulation is based, at the parton level, on perturbative QCD and the Weinberg-Salam model. Partons are independently frag... Title of program: COJETS Catalogue Id: AAVR_v2_0 [ABRM] Nature of problem Simulation of QCD and the Weinberg-Salam Model in antiproton-proton and proton-proton interactions. Versions of this program held in the CPC repository in Mendeley Data AAVR_v1_0; COJETS; 10.1016/0010-4655(84)90067-5 AAVR_v2_0; COJETS; 10.1016/0010-4655(90)90094-H AAVR_v3_0; COJETS 6.23; 10.1016/0010-4655(92)90151-N This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

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Contributors: Martin Wiebusch

Date: 2019-12-05

... Abstract This article introduces the Mathematica package HEPMath which provides a number of utilities and algorithms for High Energy Physics computations in Mathematica. Its functionality is similar to packages like FormCalc or FeynCalc, but it takes a more complete and extensible approach to implementing common High Energy Physics notations in the Mathematica language, in particular those related to tensors and index contractions. It also provides a more flexible method for the generation of numerica... Title of program: HEPMath Catalogue Id: AEWU_v1_0 Nature of problem Automatisation of (Feynman diagrammatic) computations in High Energy Physics, representation and manipulation of tensors with symbolic indices in the Mathematica language, generation of numerical code and interface to Python. Versions of this program held in the CPC repository in Mendeley Data AEWU_v1_0; HEPMath; 10.1016/j.cpc.2015.04.022 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

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Contributors: A.C. Yates

Date: 2019-12-05

... Title of program: A SCAT Catalogue Id: ACQX_v1_0 Nature of problem The program calculates angular distributions (differential cross sections) and spin-polarization distributions of electrons scattered elastically by atomic targets within the framework of the static field approximation, by solving the radial Dirac equations. Versions of this program held in the CPC repository in Mendeley Data ACQX_v1_0; A SCAT; 10.1016/0010-4655(71)90050-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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Contributors: J.M. MacLaren, S. Crampin, D.D. Vvedensky, R.C. Albers, J.B. Pendry

Date: 2019-12-05

... Abstract A program is presented which implements the layer Koringer-Kohn-Rostoker theory for the electronic structure of both bulk systems and those characterised by two-dimensional periodicity. The one-electron Green function is obtained by recursively assembling the layers of the system, permitting the study of interface regions embedded in otherwise perfect host materials. The program enables the calculation of self-consistent charge densities and localised states. Title of program: LKKR Catalogue Id: ABRZ_v1_0 Nature of problem To calculate electronic and magnetic properties including the density of states, total charge density, total energies and band structures of bulk crystals and planar defects such as stacking faults and grain boundaries. Versions of this program held in the CPC repository in Mendeley Data ABRZ_v1_0; LKKR; 10.1016/0010-4655(90)90035-Y This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

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Contributors: Stephan Buehler, Claude Duhr

Date: 2019-12-05

... Abstract We present a new Fortran library to evaluate all harmonic polylogarithms up to weight four numerically for any complex argument. The algorithm is based on a reduction of harmonic polylogarithms up to weight four to a minimal set of basis functions that are computed numerically using series expansions allowing for fast and reliable numerical results. Title of program: Chaplin Catalogue Id: AETC_v1_0 Nature of problem Numerical evaluation of harmonic polylogarithms. Versions of this program held in the CPC repository in Mendeley Data AETC_v1_0; Chaplin; 10.1016/j.cpc.2014.05.022 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

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Contributors: Lou Yongming, Börje Johansson

Date: 2019-12-05

... Abstract We have developed a multivariant interpolation program which interpolates and calculates the derivatives of any function defined on a set of points randomly distributed in a three-dimensional space. Based on the Taylor expansion, the interpolation problem is transformed to find a solution of a linear equation. It is demonstrated that there is no restriction required on the data structure in the present routine and that an ill-condition problem is removed from the process when solving the line... Title of program: INTRP3 Catalogue Id: ACHJ_v1_0 Nature of problem Interpolates and calculates the derivatives of any function defined on a set of points randomly distributed in a three dimensional space. Versions of this program held in the CPC repository in Mendeley Data ACHJ_v1_0; INTRP3; 10.1016/0010-4655(92)90201-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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Contributors: Torbjörn Sjöstrand

Date: 2019-12-05

... Title of program: JETSET 4.3 G Catalogue Id: AAVJ_v1_0 Nature of problem In high energy collisions normally most of the particles in the final state appear within a few rather narrow cones. Each of these collections of particles, called jets, are assumed to be coming from the hadronization of an outgoing quark or gluon. QCD, the candidate theory of strong interactions, can be used perturbatively to describe the scattering or creation of these partons at small distance scales (high Q^2), and there are reasons to believe that the large distance behaviour of QCD makes ... Versions of this program held in the CPC repository in Mendeley Data AAVJ_v1_0; JETSET 4.3 G; 10.1016/0010-4655(82)90175-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

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Contributors: J.M. Hayes, J.C. Greer

Date: 2019-12-05

... Abstract The program PAROPT has been written to extract forcefield parameters from ab initio calculations of potential energy surfaces (PES) and ab initio analytical forces. The ability to use either energies or forces, or a combination of the two to determine forcefield parameters is a novel feature of the program. Simulated annealing is used within the program to minimise the difference between a set of forces and energies calculated using ab initio techniques and the same quantities calculated usin... Title of program: PAROPT Catalogue Id: ADQD_v1_0 Nature of problem PAROPT is a program for the representing molecular interactions by the extraction of forcefield parameters. This allows analytical modelling based upon ab initio data, validation of the forcefields against known experimental data, and for use in subsequent molecular mechanics, Monte Carlo, and molecular dynamics simulations. Versions of this program held in the CPC repository in Mendeley Data ADQD_v1_0; PAROPT; 10.1016/S0010-4655(02)00456-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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