cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/chwsvh4tv5.1
title: TOPAZO 2.0 - A program for computing de-convoluted and realistic observables around the Z 0 peak

description: Abstract The program TOPAZO is designed for computing Z^0parameters, de-convoluted and QED-dressed cross sections and forward-backward asymmetries of e^+ e^-annihilation into fermion pairs and of Bhabha scattering around the Z^0peak, over both a completely inclusive experimental set-up and a realistic one, i.e. with cuts on acollinearity, energy or invariant mass and angular acceptance of the outgoing fermions. The new version, 2.0, offers the possibility of imposing different experimental cuts ... Title of program: TOPAZ0 2.0 Catalogue Id: ACNT_v2_0 [ADCQ] Nature of problem An accurate theoretical description of e+e- annihilation processes and of Bhabha scattering at the Z0 resonance is necessary in order to compare theoretical cross sections and asymmetries with the experimental ones as measured by the LEP collaborations. In particular a realistic theoretical description, i.e. a description in which the effects of experimental cuts, such as maximum acollinearity, energy or invariant mass and angular acceptance of the outgoing fermions, are taken into account, allo ... Versions of this program held in the CPC repository in Mendeley Data ACNT_v1_0; TOPAZ0; 10.1016/0010-4655(93)90060-P ACNT_v2_0; TOPAZ0 2.0; 10.1016/0010-4655(95)00127-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/kvkkwmp6k7.1
title: A REDUCE program for the integration of differential polynomials

description: Abstract A differential polynomial F[u] is a polynomial expression of the derivatives of the function u(x). A REDUCE program for the integration of differential polynomials is given. The program is tested on the computation of the conserved densities of polynomial evolution equations. Input and output from the test runs are included in the library files. Title of program: INTEG Catalogue Id: ACJG_v1_0 Nature of problem The study of the conserved densities and symmetries of polynomial evolution equations leads to the integration of polynomial expressions of the derivatives of certain functions. Actually differential polynomials have a unique decomposition as "total derivatives" and "functional differential monomials" and integration means finding this decomposition. This cannot be acheived with the standard packages of symbolic programming languages. Versions of this program held in the CPC repository in Mendeley Data ACJG_v1_0; INTEG; 10.1016/0010-4655(92)90013-O This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/xwcgrnbm22.1
title: Sequential random integer generator

description: Title of program: SRNG Catalogue Id: ACIE_v1_0 Nature of problem An algorithm to generate a subset of random integers from a larger set of integers has been developed to minimize both the computing time and the memory space. The algorithm deals with the whole array at the same time, generates a subset of random integers for a given percentage of the range, and the generated subset of random integers is obtained as sequentially increasing numbers. Such random integers are used to specify thepositions of randomly dispersed impurity atoms or solute atoms in many ... Versions of this program held in the CPC repository in Mendeley Data ACIE_v1_0; SRNG; 10.1016/0010-4655(76)90065-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/5524m88x7t.1
title: A microcanonical model of hot nuclei

description: Abstract We describe our Metropolis Monte Carlo computer code for the microcanonical calculation of the fragmentation of a hot nucleus. It is applicable for nuclei with excitation energies on the order of 1–20 MeV per nucleon, such as might be created in intermediate-energy heavy-ion collisions. The code creates complete, individual events in which both energy and mass are exactly conserved, and will write the individual events as well as perform analyses. The events are created by sampling the phase ... Title of program: MCFRAG Catalogue Id: ACNH_v1_0 Nature of problem Recently it has been shown experimentally that highly excited nuclei will deexcite by fragmentation into one or more heavy pieces. New detectors enable experimentalists to measure exclusive quantities, including fluctuations and correlations. It is desirable to have models of this process capable of generating a large sample of events covering a wide region of the relevant phase space. Versions of this program held in the CPC repository in Mendeley Data ACNH_v1_0; MCFRAG; 10.1016/0010-4655(93)90125-V This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/6v6r23jgph.1
title: A program for generating complete active spaces for relativistic atomic structure calculations

description: Abstract Let J be the total angular momentum quantum number of an N-electron system; let P be the system's parity quantum number; let {nlj}, or equivalently {nk}, be an ordered set of subshells. The corresponding complete active space (CAS) is the set of configuration symmetry functions, {|γJ^P 〉}, generated from all permissible occupations and couplings that yield the required total angular momentum and parity. We present a program that generates CASs in jj coupling. Title of program: JJCAS Catalogue Id: ACNG_v1_0 Nature of problem Generation of complete active spaces [1,2] in the jj-coupling scheme for models of atomic electronic structure. Versions of this program held in the CPC repository in Mendeley Data ACNG_v1_0; JJCAS; 10.1016/0010-4655(93)90126-W This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/nhhxg83mf6.1
title: RMATRX-ION — A program to calculate electron and positron impact ionization within the R-matrix method

description: Abstract An extension of the standard non-relativistic R-matrix codes is presented which allows for the calculation of total and single differential (with regard to energy loss) electron and positron impact ionization cross sections of atoms and ions. The method uses distorted waves for a “fast” ionizing projectile and an R-matrix (close-coupling) expansion for the “slow” ejected electron. Exchange between outgoing electrons (for electron impact ionization) and positronium formation (for positron impa... Title of program: RMATRX-ION Catalogue Id: ACLN_v1_0 Nature of problem This program can be used to calculate the single differential (with regard to energy loss) and total (i.e., integrated over all energy losses) cross sections for impact ionization of atoms and ions by electrons and positrons. Versions of this program held in the CPC repository in Mendeley Data ACLN_v1_0; RMATRX-ION; 10.1016/0010-4655(93)90176-D This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.5286/isis.e.rb1955000-4
title: Structural studies of anti-wear and friction reducing layers formed by lubricant additives (Experiment #1)
DOI: 10.17632/g579v3ymw8.1
title: A Pascal program for the least-squares evaluation of standard RBS spectra

description: Abstract A computer program for least-squares fitting of energy spectra obtained in common Rutherford backscattering (RBS) analyses is described. The samples analyzed by RBS technique are considered to be made up of a finite number of layers, each with uniform composition. The RBS spectra are treated as a combination of variable number of three different basic figures (strip, bulge and Gaussian) which are represented by ad-hoc chosen analytical expressions. The initial parameter estimates are inserted... Title of program: RBSFIT Catalogue Id: ACJR_v1_0 Nature of problem The program serves for the determination of basic parameters, e.g. positions, amplitudes and areas of specific components appearing in the energy spectra of elastically scattered particles. Versions of this program held in the CPC repository in Mendeley Data ACJR_v1_0; RBSFIT; 10.1016/0010-4655(92)90156-S This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/tsyg3k6khh.1
title: POINCARÉ CODE: A package of open-source implements for normalization and computer algebra reduction near equilibria of coupled ordinary differential equations

description: Abstract The Poincaré code is a Maple project package that aims to gather significant computer algebra normal form (and subsequent reduction) methods for handling nonlinear ordinary differential equations. As a first version, a set of fourteen easy-to-use Maple commands is introduced for symbolic creation of (improved variants of Poincaré’s) normal forms as well as their associated normalizing transformations. The software is the implementation by the authors of carefully studied and followed up sele... Title of program: POINCARÉ Catalogue Id: AEPJ_v1_0 Nature of problem Computing structure-preserving normal forms near the origin for nonlinear vector fields. Versions of this program held in the CPC repository in Mendeley Data AEPJ_v1_0; POINCARÉ; 10.1016/j.cpc.2013.04.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/y4xyvkbgk9.1
title: A hybrid atomistic–continuum model for fluid flow using LAMMPS and OpenFOAM

description: Abstract A fully parallelized hybrid atomistic–continuum (HAC) model, built from the open source codes LAMMPS and OpenFOAM, is developed to resolve nanoscale features of fluid flow. The domain is decomposed into an atomistic domain, where individual atomic interactions are computed, and a continuum domain, where the Navier–Stokes equations are solved. The two domains are coupled through an overlap region in which the solutions in both domains are consistent. The accuracy of the HAC model is demonstrat... Title of program: HacFoam Catalogue Id: AEPC_v1_0 Nature of problem Continuum methods are often incapable of resolving features and flow patterns in confined nanoscale liquid flows. Macroscopic simulations are far out of reach of atomistic simulations. Combining the atomistic resolution of molecular dynamics with the reduced computational expense of traditional continuum numerical techniques for fluid flow would allow larger scale problems to be studied. Versions of this program held in the CPC repository in Mendeley Data AEPC_v1_0; HacFoam; 10.1016/j.cpc.2013.03.009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/4c7vn8m92h.1
title: PEPSI — a Monte Carlo generator for polarized leptoproduction

description: Abstract We describe PEPSI (Polarized Electron Proton Scattering Interactions), a Monte Carlo program for polarized deep inelastic leptoproduction mediated by electromagnetic interaction, and explain how to use it. The code is a modification of the LEPTO 4.3 Lund Monte Carlo for unpolarized scattering. The hard virtual gamma-parton scattering is generated according to the polarization-dependent QCD cross-section of the first order in α_S . PEPSI requires the standard polarization-independent JETSET ro... Title of program: PEPSI version 1.1 Catalogue Id: ACJF_v1_0 Nature of problem Deep inelastic scattering of longitudinally polarized leptons off polarized nucleons or nuclei are the ideal tools to determine the spin distributions of partons inside such targets. Like the momentum distribution determined by unpolarized deep inelastic scattering, the partonic spin distributions contain an important dynamical information which strongly influence our understanding of the nucleon structure, and hence of non-perturbative Quantum Chromodynamics. The surprising result of a recent E ... Versions of this program held in the CPC repository in Mendeley Data ACJF_v1_0; PEPSI version 1.1; 10.1016/0010-4655(92)90016-R This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/bz3jgnpv8v.1
title: IONIS: Approximate atomic photoionization intensities

description: Abstract A program to compute relative atomic photoionization cross sections is presented. The code applies the output of the multiconfiguration Dirac–Fock method for atoms in the single active electron scheme, by computing the overlap of the bound electron states in the initial and final states. The contribution from the single-particle ionization matrix elements is assumed to be the same for each final state. This method gives rather accurate relative ionization probabilities provided the single-ele... Title of program: IONIS Catalogue Id: AEKK_v1_0 Nature of problem Photoionization intensities for atoms. Versions of this program held in the CPC repository in Mendeley Data AEKK_v1_0; IONIS; 10.1016/j.cpc.2011.09.011 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/c4855tkr3x.1
title: Massive non-planar two-loop four-point integrals with SecDec 2.1

description: Abstract We present numerical results for massive non-planar two-loop box integrals entering heavy quark pair production at NNLO, some of which are not known analytically yet. The results have been obtained with the program SecDec 2.1, based on sector decomposition and contour deformation, in combination with new types of transformations. Among the new features of version 2.1 is also the possibility to evaluate contracted tensor integrals, with no limitation on the rank. ... Title of program: SecDec 2.1 Catalogue Id: AEIR_v2_1 Nature of problem Extraction of ultraviolet and infrared singularities from parametric integrals appearing in higher order perturbative calculations in gauge theories. Numerical integration in the presence of integrable singularities (e.g. kinematic thresholds in massive multi-loop integrals). Flexibility to treat non-standard user defined functions Versions of this program held in the CPC repository in Mendeley Data AEIR_v1_0; SecDec; 10.1016/j.cpc.2011.03.026 AEIR_v2_0; SecDec 2.0; 10.1016/j.cpc.2012.09.020 AEIR_v2_1; SecDec 2.1; 10.1016/j.cpc.2013.05.022 AEIR_v3_0; SecDec 3.0; 10.1016/j.cpc.2015.05.022 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/f65r8nvjmv.1
title: DVR3D: programs for fully pointwise calculation of vibrational spectra

description: Abstract DVR3D calculates rotationless (J=0) vibrational energy levels and wavefunctions for triatomic systems using scattering (Jacobi) coordinates, or optionally unsymmetrised Radau coordinates, for a given potential energy surface. The program uses a discrete variable representation (DVR) based on Gauss-Legendre and Gauss-Laguerre quadrature for all 3 internal coordinates and thus yields a fully pointwise representation of the wavefunctions. Successive diagonalisation and truncation is implemented ... Title of program: DIPJ0DVR Catalogue Id: ACNF_v1_0 Nature of problem DIPJ0DVR calculates the vibrational band intensities between eigenstates calculated using the DVR method. Versions of this program held in the CPC repository in Mendeley Data acnf_v1_0; DIPJ0DVR; 10.1016/0010-4655(93)90050-M This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/khtmd7skn5.1
title: OneLOop: For the evaluation of one-loop scalar functions

description: Abstract OneLOop is a program to evaluate the one-loop scalar 1-point, 2-point, 3-point and 4-point functions, for all kinematical configurations relevant for collider-physics, and for any non-positive imaginary parts of the internal squared masses. It deals with all UV and IR divergences within dimensional regularization. Furthermore, it provides routines to evaluate these functions using straightforward numerical integration. Title of program: OneLOop Catalogue Id: AEJO_v1_0 Nature of problem In order to reach next-to-leading order precision in the calculation of cross sections of hard scattering processes, one-loop amplitudes have to be evaluated. This is done by expressing them as linear combination of one-loop scalar functions. In a concrete calculation, these functions eventually have to be evaluated. If the scattering process involves unstable particles, consistency requires the evaluation of these functions with complex internal masses. Versions of this program held in the CPC repository in Mendeley Data AEJO_v1_0; OneLOop; 10.1016/j.cpc.2011.06.011 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/pxhyphtxyj.1
title: Symbolic computation of analytic approximate solutions for nonlinear differential equations with initial conditions

description: Abstract The Adomian decomposition method (ADM) is one of the most effective methods for constructing analytic approximate solutions of nonlinear differential equations. In this paper, based on the new definition of the Adomian polynomials, and the two-step Adomian decomposition method (TSADM) combined with the Padé technique, a new algorithm is proposed to construct accurate analytic approximations of nonlinear differential equations with initial conditions. Furthermore, a MAPLE package is developed,... Title of program: NAPA Catalogue Id: AEJZ_v1_0 Nature of problem Solve nonlinear differential equations with initial conditions. Versions of this program held in the CPC repository in Mendeley Data AEJZ_v1_0; NAPA; 10.1016/j.cpc.2011.08.001 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/w8mc2b976v.1
title: A subroutine package for computing Green's functions of relaxed surfaces by the renormalization method

description: Abstract We present a subroutine package for the computation of Green's functions of relaxed surfaces and the bulk within the framework of a tight-binding basis. The application of a highly convergent renormalization scheme allows treatment of large unit cells and may include spin-orbit interaction in a suitable parametrization. The onedimensional semi-infinite solid is solved analytically and serves as a testing example. Title of program: GREEN Catalogue Id: ACNU_v1_0 Nature of problem In the determination of the electronic structure of semi-infinite solids the Green's function is the essential quantity from which the layer- resolved density of states, electron density and other properties may be derived. Its computation is complicated because of the truncation of the solid by the surface, for example computation schemes used for bulk crystals are impractible. Versions of this program held in the CPC repository in Mendeley Data ACNU_v1_0; GREEN; 10.1016/0010-4655(93)90038-E This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/33kg9b76wc.1
title: Automatic calculation of Feynman loop-diagrams I. Generation of a simplified form of the amplitude

description: Abstract In order to develop an automatic system to calculate loop diagrams in renormalizable theories, we present the first part of a complete system written in REDUCE and RLISP. It can generate the tensor and gamma matrix basis which is able to cast the total amplitude into a simpler form with the help of gauge invariance and symmetry among identical particles. Title of program: FDC1 Catalogue Id: ACNY_v1_0 Nature of problem In perturbative field theory, calculation of Feynman loop-process become more and more complicated and tedious as higher order correction is taken into account. Therefore, to develop programs to perform the work automatically become very useful. To construct a practicable program, there are many obstacles, such as how to express total amplitude to obtain the amplitude square, Feynman parameter integration, etc. Versions of this program held in the CPC repository in Mendeley Data ACNY_v1_0; FDC1; 10.1016/0010-4655(93)90010-A This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/8ztd4mrcgk.1
title: COOL: A code for Dynamic Monte Carlo Simulation of molecular dynamics

description: Abstract Cool is a program to simulate evaporative and sympathetic cooling for a mixture of two gases co-trapped in an harmonic potential. The collisions involved are assumed to be exclusively elastic, and losses are due to evaporation from the trap. Each particle is followed individually in its trajectory, consequently properties such as spatial densities or energy distributions can be readily evaluated. The code can be used sequentially, by employing one output as input for another run. The code can... Title of program: COOL Catalogue Id: AEHJ_v2_0 Nature of problem Simulation of the sympathetic process occurring for two molecular gases co-trapped in a deep optical trap. Versions of this program held in the CPC repository in Mendeley Data AEHJ_v1_0; COOL; 10.1016/j.cpc.2010.09.015 AEHJ_v2_0; COOL; 10.1016/j.cpc.2011.09.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/97khdnyn3m.1
title: LIPAOL: an event generator for hadron interaction simulations

description: Abstract We have developed a computational code - LIPAOL - for the simulation of hadron-hadron interactions, to be used in a wide energy range of accelerator and cosmic ray experiments. The theoretical framework is a modification of the quark-gluon string model. LIPAOL produces results that are in a good agreement with the accelerator data in the region of the available phase space. It can be used in exclusive simulations of individual hadron interactions and cosmic ray cascades, since the computation... Title of program: LIPAOL Catalogue Id: ACJI_v1_0 Nature of problem The nature of the physical problem is a calculation of the inclusive x-spectra of the secondary particles in p-p interactions, based on the quark-gluon string model. Versions of this program held in the CPC repository in Mendeley Data ACJI_v1_0; LIPAOL; 10.1016/0010-4655(92)90005-J This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/mz5mcyx9kh.1
title: HYDMATEL: a code to calculate matrix elements for hydrogen-like atoms

description: Abstract Recursion relations for determining radial matrix elements of r-dependent operators between hydrogenic wavefunctions are derived using a technique based on the hypervirial theorem along with a second quantization formalism. These expressions have been included in the program HYDMATEL, and this code is valid for both diagonal and off-diagonal matrix element calculations with no limitation on the values of the n and l quantum numbers or on the power of the operator. Title of program: HYDMATEL Catalogue Id: ACLO_v1_0 Nature of problem Many problems in atomic physics need the calculation of matrix elements for r-dependent operators. The calculation of these elements could be carried out by resolving the integral analytically, but when n is much greater than l, Gordon's formula or other analytically expanded formulae are not only hard to use, but have no numerical validity for large n due to successive cancellations between positive and negative terms. Several alternative methods have therefore been developed: asymptotic expans ... Versions of this program held in the CPC repository in Mendeley Data ACLO_v1_0; HYDMATEL; 10.1016/0010-4655(93)90174-B This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)