cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/4j5xwtxfwy.1
title: Asymptotic solution of coupled equations for electron scattering

description: Title of program: ASYM Catalogue Id: ACQE_v1_0 Nature of problem The program ASYM solves coupled second-order differential equations of the type encountered in the close-coupling formulation of electron-atom (ion) scattering problems, at some specified point in the asymptotic region. Lineraly independent sets of wave functions are found which could be used as boundary solutions for a complete solution of the close-coupling integro-differential equations. Versions of this program held in the CPC repository in Mendeley Data ACQE_v1_0; ASYM; 10.1016/0010-4655(69)90002-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/7cwvnn3mw7.1
title: SBGBBG, a program to evaluate the macroscopic strain/stress tensor of a polycrystalline sample from X-ray reflection positions

description: Abstract The evaluation of the strain/stress tensor from strain measured by X-ray diffraction requires a transformation from the sample system S to the laboratory system L. The transformation matrix A depends on the diffractometer geometry and the sample tilting. The conversion from strain to stress relies on poly-crystal elastic compliances S′_(mnop). The averaging is done about the orientation of the diffracting crystallites. The orientation distribution function (ODF) serves as weighting function... Title of program: SBGBBG Catalogue Id: ADAF_v1_0 Nature of problem Residual stresses in a polycrystalline sample cause changes in lattice plane distances which result in a shift of the X-ray reflections. The reflection shift depends on the measurement direction within the sample and therefore we can utilize the shift to evaluate the residual stress, i.e. the stress tensor. Versions of this program held in the CPC repository in Mendeley Data ADAF_v1_0; SBGBBG; 10.1016/0010-4655(94)00128-O This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/9ftp5rcmsv.1
title: DVR3D: for the fully pointwise calculation of ro-vibrational spectra of triatomic molecules

description: Abstract The DVR3D program suite calculates energy levels, wavefunctions, and where appropriate dipole transition moments, for rotating and vibrating triatomic molecules. Potential energy, and where necessary, dipole surfaces must be provided. The programs use an exact (within the Born-Oppenheimer approximation) Hamiltonian, offer a choice of Jacobi or Radau internal coordinates and several body-fixed axes. Rotationally excited states are treated using an efficient two-step algorithm. The programs use... Title of program: ROTLEV3 Catalogue Id: ADAL_v1_0 Nature of problem ROTLEV3 performs the second step in a two-step variational calculation for the bound ro-vibrational levels of a triatomic system represented in either Jacobi or unsymmetrised Radau coordinates [1]. Versions of this program held in the CPC repository in Mendeley Data adal_v1_0; ROTLEV3; 10.1016/0010-4655(94)00139-S adal_v2_0; ROTLEV3; 10.1016/j.cpc.2003.10.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/b78wpxmsj6.1
title: A parallel code for the numerical simulation of flux tubes in superconductors and cosmic strings

description: Abstract We present two programs written in CM Fortran that simulate the dynamical interactions of flux-tubes in superconductors and cosmic strings. One program simulates parallel line-vortices (a 2-dimensional problem) while the other simulates the full 3-dimensional problem. Both programs have been written to take advantage of the parallel architecture and data motion features of the Connection Machine. Title of program: vxmkgo2D Catalogue Id: ACPD_v1_0 Nature of problem Vortices appear in a wide variety of physical phenomena. Vortices in the Ginzburg-Landau model (phenomenological theory of superconductivity) and in Grand Unified Theories of elementary particle interactions (in which case they are called cosmic strings) share a common theoretical background. Understanding the dynamical interactions of parallel line- vortices is important to both fields. Versions of this program held in the CPC repository in Mendeley Data acpd_v1_0; vxmkgo2D; 10.1016/0010-4655(93)90150-B This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/btdxx5hsns.1
title: Library of SM and anomalous WWγ couplings for the e+e−→f f ̄ nγ Monte Carlo programs

description: Abstract A brief description of the library of the Standard Model and anomalous WWγ coupling contribution to the matrix element for e^+ e^-→ vv̄nγ process is given. It can be used with any Monte Carlo program for e^+ e^-→ f f̄nγ processes. A working example of the application for the KORALZ version 4.04 is also provided. Title of program: GengLib, version 2.0 Catalogue Id: ADKY_v1_0 Nature of problem The process e+e- -&gt; nunubar(etagamma) provides important observables, which are sensitive to parameters of the standard electroweak theory as well as possible effects of new physics. A Monte Carlo simulation of this process is necessary in order to evaluate the effects of QED bremsstrahlung and the experimental apparatus on the observables in question. Simultaneous control of the precise Standard Model predictions and contributions due to hypotethical new physics extensions is mandatory in such ... Versions of this program held in the CPC repository in Mendeley Data ADKY_v1_0; GengLib, version 2.0; 10.1016/S0010-4655(99)00438-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/dp8vszy39t.1
title: Automation of the lifting factorisation of wavelet transforms

description: Abstract Wavelets are sets of basis functions used in the analysis of signals and images. In contrast to Fourier analysis, wavelets have both spatial and frequency localization, making them useful for the analysis of sharply-varying or non-periodic signals. The lifting scheme for finding the discrete wavelet transform was demonstrated by Daubechies and Sweldens (1996). In particular, they showed that this method depends on the factorization of polyphase matrices, whose entries are Laurent polynomials,... Title of program: LiftingFactorisation.nb 1.0 Catalogue Id: ADLE_v1_0 Nature of problem Spectral analysis and compression of signals or images. Versions of this program held in the CPC repository in Mendeley Data ADLE_v1_0; LiftingFactorisation.nb 1.0; 10.1016/S0010-4655(99)00451-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/ggjs6pgvf9.1
title: GRASP92: a package for large-scale relativistic atomic structure calculations

description: Title of program: GRASP92 Catalogue Id: ADCU_v1_1 Nature of problem Prediction of atomic spectra - atomic energy levels, oscillator strengths, and radiative decay rates - using a 'fully relativistic' approach. Versions of this program held in the CPC repository in Mendeley Data ADCU_v1_0; GRASP92; 10.1016/0010-4655(95)00136-0 ADCU_v1_1; GRASP92; 10.1016/j.cpc.2006.07.021 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/j6mvbzhdws.1
title: High-energy-physics event generation with PYTHIA 5.7 and JETSET 7.4

description: Abstract Pythia and JETSET are the two main components of the “Lund Monte Carlo” program suite. They can be used to generate high-energy-physics “events”, i.e. sets of outgoing particles produced in the interactions between two incoming particles. Ideally these events should have the same average behaviour and the same fluctuations as real data. The underlying physics is not understood well enough to give an exact description; the programs therefore contain a combination of analytical results and vari... Title of program: PYTHIA 5.7 AND JETSET 7.4 Catalogue Id: ACTU_v1_0 Nature of problem High-energy collisions between elementary particles normally give rise to complex final states, with large multiplicities of hadrons, leptons, neutrinos and photons. The relation between these final states and the underlying physics description is not a simple one, for two main reasons. Firstly, we do not even in principle have a complete understanding of the physics. Secondly, any analytical approach is made untractable by the large multiplicities. Versions of this program held in the CPC repository in Mendeley Data ACTU_v1_0; PYTHIA 5.7 AND JETSET 7.4; 10.1016/0010-4655(94)90132-5 ACTU_v2_0; PYTHIA V6.154; 10.1016/S0010-4655(00)00236-8 ACTU_v2_1; PYTHIA Version number: 6.420; 10.1016/j.cpc.2009.08.008 ACTU_v3_0; Pythia 8.1; 10.1016/j.cpc.2008.01.036 ACTU_v4_0; Pythia 8.2; 10.1016/j.cpc.2015.01.024 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/m5jwxfswd8.1
title: HSTERM — A program to calculate potential curves and radial matrix elements for two-electron systems within the hyperspherical adiabatic approach

description: Abstract A FORTRAN 77 program is presented which calculates potential curves and matrix elements of radial coupling for two-electron systems using the hyperspherical coordinate method. The adiabatic and diabatic-by-sector close-coupling approaches are considered. The program calculates also the overlap matrices on borders of all sectors which are necessary for integration of close-coupling hyperradial equations within the sector-diabatic approach. It performs also the computation of the angular part o... Title of program: HSTERM Catalogue Id: ADBZ_v1_0 Nature of problem The purpose of this program is to calculate potential curves and matrix elements of radial coupling for two-electron systems within the hyper- spherical adiabatic [4] and diabatic-by-sector [5] approaches. The program computes also the dipole transition matrix elements in the length and acceleration forms and calculates overlap matrices necessary for integration of close-coupling equations in the diabatic-by-sector approach [5]. Versions of this program held in the CPC repository in Mendeley Data ADBZ_v1_0; HSTERM; 10.1016/0010-4655(95)00084-S This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/xwk8gbjk92.1
title: The permanent of 0,1 matrices and Kallman's algorithm

description: Abstract The Kallman algorithm for the computation of the permanent, per(A), of a matrix A has been ported to the Cray C90, tested on other platforms, and compared against several alternative algorithms. This report presents results of these comparisons for test cases where the permanent is known and also for cases of the adjacency matrix taken from molecular chemistry applications. The accompanying code includes both C90 and Personal Computer versions of the Kallman algorithm, and these have been eva... Title of program: KALLC90 and KALLPC Catalogue Id: ADLC_v1_0 Nature of problem Numerical evaluation of the permanent of a 0,1 matrix. Versions of this program held in the CPC repository in Mendeley Data ADLC_v1_0; KALLC90 and KALLPC; 10.1016/S0010-4655(99)00448-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/yc9vv7rwyj.1
title: ZEAL: A mathematical software package for computing zeros of analytic functions

description: Abstract We present a reliable and portable software package for computing zeros of analytic functions. The package is named ZEAL (ZEros of AnaLytic functions). Given a rectangular region W in the complex plane and a function f:W→C that is analytic in W and does not have zeros on the boundary of W, ZEAL localizes and computes all the zeros of f that lie inside W, together with their respective multiplicities. ZEAL is based on the theory of formal orthogonal polynomials. It procee... Title of program: ZEAL Catalogue Id: ADKW_v1_0 Nature of problem ZEAL is a general purpose package for computing zeros of analytic functions. It can be used in various physical applications. More precisely, given a rectangular region W in the complex plane and an analytic function f : W -&gt; C, such that no zero of f lies on the boundary of W, ZEAL calculates all the zeros of f that lie inside W, together with their respective multiplicities. Versions of this program held in the CPC repository in Mendeley Data ADKW_v1_0; ZEAL; 10.1016/S0010-4655(99)00429-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/yz5jgp2b94.1
title: An MCHF atomic-structure package for large-scale calculations

description: Abstract An MCHF atomic-structure package is presented based on dynamic memory allocation, sparse matrix methods, and a recently developed angular library. It is meant for large-scale calculations in a basis of orthogonal orbitals for groups of LS terms of arbitrary parity. For Breit-Pauli calculations, all operators-spin-orbit, spin-other orbit, spin-spin, and orbit-orbit-may be included. For transition probabilities the orbitals of the initial and final state need not be orthogonal. A bi-orthogonal ... Title of program: ATSP2K Catalogue Id: ADLY_v2_0 Nature of problem This program determines energy levels and associated wave functions for states of atoms and ions in the MCHF (LS) or Breit-Pauli (LSJ) approximation. Given the wave function, various atomic properties can be computed such as electric (Ek) and magnetic (Mk) multipole radiative transition probabilities (k max =10) between LS or LSJ states, isotope shift constants, hyperfine parameters, and gJ factors. Versions of this program held in the CPC repository in Mendeley Data ADLY_v1_0; ATSP_MCHF version 1.00; 10.1016/S0010-4655(00)00009-6 ADLY_v2_0; ATSP2K; 10.1016/j.cpc.2007.01.006 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/8r85svhrn8.1
title: Self-consistent solution to a fermion determinant with space dependent fields

description: Abstract A numerical routine is provided which allows to compute and minimize an energy functional involving a fermion determinant. Such determinants appear whenever fermion degrees of freedom which couple to space-dependent boson fields are treated by functional integral techniques. The energy functional is evaluated by summing over the eigenvalues of a one-particle Dirac Hamiltonian. In order to minimize the energy functional the corresponding eigenfunctions are used to construct the equation of mot... Title of program: chisol Catalogue Id: ACVA_v1_0 Nature of problem Quark fields are integrated out from the Nambu-Jona-Lasinio model yielding a determinant which involves composite meson fields. The fermion determinant is evaluated for static but space-dependent meson field configurations. The configuration which minimizes the corresponding energy functional is constructed self-consistently. Versions of this program held in the CPC repository in Mendeley Data ACVA_v1_0; chisol; 10.1016/0010-4655(94)90129-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/ct4pjkswp7.1
title: PHIPHI-A program for computing radiative Bhabha scattering cross sections at DAΦNE

description: Abstract The FORTRAN program PHIPHI, designed for a complete study of the radiative Bhabha scattering e^+ e^- →e^+ e^- γ at the energies of the Φ-factory DAΦNE, is described. It allows for the calculation of various differential and total cross sections of experimental interest at DAΦNE with the possibility of taking into account realistic cuts on the energies and angles of the final state particles. Proper matrix elements, including all the necessary finite mass correction terms, or analytic formulae... Title of program: PHIPHI Catalogue Id: ACPP_v1_0 Nature of problem Radiative Bhabha scattering e^+e^- -&gt; e^+e^-gamma constitutes a background process to some reactions of relevant interest at the Phi-factory DAPHINE, namely two-photon scattering e^+e^- -&gt; (gamma gamma) -&gt; e^+e^-X (X = phi, phi phi, phi^0/eta...) [2]. ... CORRECTION SUMMARY: Vol:Year:Page 79:1994:351 "000ACORRECTION 26/01/94" "PHIPHI: a program for computing radiative Bhabha scattering cross sections at DAPhiNE. (C.P.C. 78(1993)155)." G. Montagna; F. Piccinini; O. Nicrosini Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACPP_v1_0; PHIPHI; 10.1016/0010-4655(93)90151-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/kj9sv7476g.1
title: DTORH3 2.0: A new version of a computer program for the evaluation of toroidal harmonics

description: Abstract An improved version of the program DTORH3 to evaluate toroidal harmonics is presented. The code incorporates a uniform asymptotic expansion for P_ν ^m (x) for large m which extends the range of applicability for large x of the previous version. In addition, the new version of the program takes advantage of the dual behaviour of the functions P and Q incorporating a "dual" algorithm for 1
DOI: 10.17632/zpzs7vms3w.1
title: A general program for computing angular integrals of the Breit–Pauli Hamiltonian with non-orthogonal orbitals

description: Abstract The BREIT_NO program performs the angular integrations necessary for expressing the matrix elements of the Breit–Pauli Hamiltonian as a linear combination of radial integrals. Any amount of non-orthogonality between the orbitals may be present leading to overlap factors in the matrix elements. The calculations follow the method based on the representation of configuration wave functions through the Slater determinants. All matrix elements for a given list of configuration states may be evalua... Title of program: BREIT_NO Catalogue Id: ADLA_v1_0 Nature of problem In many atomic processes involving inner atomic shells, the relaxation of electron orbitals plays an important role. The relaxation can be most naturally taken into consideration by using non-orthogonal orbitals for the initial and final state. In atomic structure calculations, the rate of convergence of the many-configuration expansion to an acceptable accuracy may be much faster if the orbitals associated with different configurations and terms are not necessarily required to be orthogonal. Th ... Versions of this program held in the CPC repository in Mendeley Data ADLA_v1_0; BREIT_NO; 10.1016/S0010-4655(99)00441-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/343ss63tcp.1
title: A program to compute the angular coefficients of the relativistic one-electron hyperfine structure parameters

description: Abstract The Chfs program calculates the angular coefficients α^(k_s k_1)and β^(k_s k_l)_(nl)of the relativistic one-electron hyperfine structure parameters for the case of pure SL-coupling or, alternatively, the case of intermediate coupling. The calculation is based on SL-basis states and, optionally, mixing coefficients of the electronic wave functions of atoms. The derivation of the necessary matrix elements is based on the effective tensor operator formalism; explicit expressions are... Title of program: Chfs Catalogue Id: ADBV_v1_0 Nature of problem The atomic hyperfine structure splitting is characterized by the hyper- fine interaction constants A and B. Within the effective tensor operator formalism [1] ... CORRECTION SUMMARY: Vol:Year:Page 103:1997:97 "000ACORRECTION 18/11/96" "A program to compute the angular coefficients of the relativistic one- electron hyperfine structure parameters. (C.P.C. 90(1995)381)." S. Kroger; M. Kroger Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ADBV_v1_0; Chfs; 10.1016/0010-4655(95)00078-T This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/36b95nvvm6.1
title: LIE, a PC program for Lie analysis of differential equations

description: Abstract LIE is a self-contained PC program for the Lie analysis of ordinary or partial differential equations, either a single equation or a simultaneous set. It is written in the symbolic mathematics language MUMATH and will run on any PC. It comes as a complete program that incorporates the necessary parts of MUMATH and is ready to run. The previous version was for classical Lie analysis, finding the point symmetries of well-posed differential equations. This is now extended to contact, Lie-Backlun... Title of program: LIE version 4.5 Catalogue Id: ACPB_v2_0 [ADDT] Nature of problem Differential equations are omnipresent in most departments of science. Explicit exact solutions are of great value when they exist and Lie analysis is the only systematic method of finding them. The procedure is well-known [1-5] but involves a large amount of symbolic calculation that is better done by computer. Versions of this program held in the CPC repository in Mendeley Data ACPB_v1_0; LIE version 4.1; 10.1016/0010-4655(93)90007-Y ACPB_v2_0; LIE version 4.5; 10.1016/0010-4655(96)00069-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/96fxpzxn5s.1
title: Absolute cross sections of compound nucleus reactions

description: Abstract The program SEEF is a Fortran IV computer code for the extraction of absolute cross sections of compound nucleus reactions. When the evaporation residue is fed by its parents, only cumulative cross sections will be obtained from off-line gamma ray measurements. But, if one has the parent excitation function (experimental or calculated), this code will make it possible to determine absolute cross sections of any exit channel. Title of program: SEEF Catalogue Id: ACPJ_v1_0 Nature of problem One of the experimental methods used to determine cross sections of compound nucleus reactions is based on gamma rays measurements. These rays are emitted during the radioactive decay of evaporation residues. Nevertheless, when the compound nucleus evaporates charged particles, the result evaporation residue is fed by his parents during and after irradiation. So, one cannot talk of absolute cross sections in these cases. Versions of this program held in the CPC repository in Mendeley Data ACPJ_v1_0; SEEF; 10.1016/0010-4655(93)90185-F This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/b5n8c8tzgh.1
title: REX — a least-squares fitting program for the simulation and analysis of X-ray reflectivity data

description: Abstract A FORTRAN program REX, which has been developed to facilitate the interpretation of X-ray reflectivity data, is described. The program allows the simulation of reflectivity profiles as a function of either incident angle or of energy. Factors such as anomalous dispersion, and surface and interface roughness are taken into account in the model. In addition, experimental data of reflectivity as a function of incident angle can be matched to user-supplied theoretical parameters by a least-square... Title of program: REX Catalogue Id: ACPI_v1_0 Nature of problem Interpretation of X-ray reflectivity spectra from thin films or multilayers. Versions of this program held in the CPC repository in Mendeley Data ACPI_v1_0; REX; 10.1016/0010-4655(93)90188-I This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)