cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/fkwp7b92kd.1
title: Triatom: programs for the calculation of ro-vibrational spectra of triatomic molecules

description: Abstract The TRIATOM program suite calculates energy levels, wavefunctions, and where appropriate, dipole transition moments and spectra, 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 several body-fixed, internal coordinate systems based on two distances and an included angle and employ basis function expansions of orthogonal po... Title of program: TRIATOM Catalogue Id: ABJW_v2_0 [ACLX] Nature of problem TRIATOM calculates the bound ro-vibrational levels of a triatomic system using the generalised body-fixed coordinates developed by Sutcliffe and Tennyson [1]. Versions of this program held in the CPC repository in Mendeley Data abjw_v1_0; TRIATOM; 10.1016/0010-4655(89)90074-X abjw_v2_0; TRIATOM; 10.1016/0010-4655(93)90048-H This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/m5hgjk82fm.1
title: CPsuperH2.0: An improved computational tool for Higgs phenomenology in the MSSM with explicit CP violation

description: Abstract We describe the Fortran code CPsuperH2.0, which contains several improvements and extensions of its predecessor CPsuperH. It implements improved calculations of the Higgs-boson pole masses, notably a full treatment of the 4 × 4 neutral Higgs propagator matrix including the Goldstone boson and a more complete treatment of threshold effects in self-energies and Yukawa couplings, improved treatments of two-body Higgs decays, some important three-body decays, and two-loop Higgs-mediated contribut... Title of program: CPsuperH2.0 Catalogue Id: ADSR_v2_0 Nature of problem The calculations of mass spectrum, decay widths and branching ratios of the neutral and charged Higgs bosons in the Minimal Supersymmetric Standard Model with explicit CP violation have been improved. The program is based on recent renormalization-group-improved diagrammatic calculations that include dominant higher-order logarithmic and threshold corrections, b-quark Yukawa-coupling resummation effects and improved treatment of Higgs-boson pole-mass shifts. The couplings of the Higgs bosons to ... Versions of this program held in the CPC repository in Mendeley Data ADSR_v1_0; CPsuperH; 10.1016/S0010-4655(03)00463-6 ADSR_v2_0; CPsuperH2.0; 10.1016/j.cpc.2008.09.003 ADSR_v3_0; CPsuperH2.3; 10.1016/j.cpc.2012.11.006 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/v83stzs4m4.1
title: A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method

description: Title of program: RMATRX STG3R Catalogue Id: AANV_v1_0 Nature of problem This program reads the Hamiltonian matrix, the asymptotic potential coefficients and dipole length and velocity matrices. If the calculation is in LS-coupling these have been calculated in RMATRX STG2R. If relativistic effects are included and cross sections between fine structure levels required they will have been calculated in RMATRX RECUP and RMATRX RECUD. The code then diagonalizes the Hamiltonian matrix and calculates the R-matrix and its Buttle correction. Then either the electron-atom or ... Versions of this program held in the CPC repository in Mendeley Data aanv_v1_0; RMATRX STG3R; 10.1016/0010-4655(82)90076-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/v8b7sdsvsg.1
title: A trick to improve the efficiency of generating unweighted B c events from BCVEGPY

description: Abstract In the present paper, we provide an addendum to improve the efficiency of generating unweighted events within PYTHIA environment for the generator BCVEGPY2.1 [C.H. Chang, J.X. Wang, X.G. Wu, Comput. Phys. Commun. 174 (2006) 241]. This trick is helpful for experimental simulation. Moreover, the BCVEGPY output has also been improved, i.e. one Les Houches Event common block has been added so as to generate a standard Les Houches Event file that contains the information of the generated ^(Bc)m... Title of program: BCVEGPY2.1a Catalogue Id: ADTJ_v2_2 Nature of problem Hadronic Production B c meson and its excited states. Versions of this program held in the CPC repository in Mendeley Data ADTJ_v1_0; BCVEGPY; 10.1016/j.cpc.2004.02.005 ADTJ_v2_0; BCVEGPY; 10.1016/j.cpc.2005.09.008 ADTJ_v2_1; BCVEGPY2.1; 10.1016/j.cpc.2006.07.014 ADTJ_v2_2; BCVEGPY2.1a; 10.1016/j.cpc.2011.08.024 ADTJ_v2_3; BCVEGPY2.2; 10.1016/j.cpc.2015.07.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/ws73r4fjxn.1
title: numer, a code for Numerov integrations of Coulomb functions ☆ ☆ This program can be downloaded from the CPC Program Library under catalogue identifier: http://cpc.cs.qub.ac.uk/summaries/ADQB

description: Abstract The code numer is used for numerical integrations of Coulomb radial wave functions using the Numerov method. The input specifies a function and its derivative to start integrations, an integration range and an accuracy parameter ac such that the accumulated error is no larger than ac. Alternative input is initial function, integration step, and function after first step. For positive energies, options exist to use either the atomic-physics variables (ϵ,r) or the nuclear-physics variables (η,ρ... Title of program: NUMER Catalogue Id: ADQB_v1_0 Nature of problem Coulomb radial functions are required in problems involving interactions between two charged particles. They depend on scaled variables: angular momentum l; energy epsilon; radial co-ordinate r. Given either: a Coulomb function and its derivative at one value of r and an accuracy parameter, or an interval h = deltar, a function at two values of r separated by h; the code calculates the function for a specified range of r values [1]. Versions of this program held in the CPC repository in Mendeley Data ADQB_v1_0; NUMER; 10.1016/S0010-4655(02)00277-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/zz7bjwjtdw.1
title: Complex-scaled Hartree–Fock wave functions for the frozen core: A B spline approach

description: Abstract We present the construction of the complex scaled valence one-electron orbital wave function in the Hartree–Fock approximation with a frozen core in terms of B splines. The theoretical method is discussed, and instructions for use of the accompanying computer program, which also calculates complex scaled energies as well as conventional non-complex scaled wave functions and energies, are given. The programs are written in standard FORTRAN 77. They use the NAG library and the publicly availabl... Title of program: cshf1e Catalogue Id: ADQU_v1_0 Nature of problem The need for accurate valence electron orbitals in calculating multiply excited states. Versions of this program held in the CPC repository in Mendeley Data ADQU_v1_0; cshf1e; 10.1016/S0010-4655(02)00682-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/bc4mvy5hyr.1
title: GR@PPA 2.8: Initial-state jet matching for weak-boson production processes at hadron collisions

description: Abstract The initial-state jet matching method introduced in our previous studies has been applied to the event generation of single W and Z production processes and diboson ( ^(W+W-), WZ and ZZ) production processes at hadron collisions in the framework of the GR@PPA event generator. The generated events reproduce the transverse momentum spectra of weak bosons continuously in the entire kinematical region. The matrix elements (ME) for hard interactions are still at the tree level. As in previous ve... Title of program: GR@PPA 2.8 Catalogue Id: ADRH_v3_0 Nature of problem We need to combine those processes including 0 jet and 1 jet in the matrix elements using an appropriate matching method, in order to simulate weak-boson production processes in the entire kinematical region. Versions of this program held in the CPC repository in Mendeley Data ADRH_v1_0; GR@PPA_4b (v1.0); 10.1016/S0010-4655(02)00793-2 ADRH_v2_0; GR@PPA (v2.7); 10.1016/j.cpc.2006.07.011 ADRH_v3_0; GR@PPA 2.8; 10.1016/j.cpc.2011.12.023 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/c6gwbzwbfh.1
title: Self-consistent field hartree-fock program for atoms

description: Title of program: ATOMIC SCF HARTREE-FOCK Catalogue Id: AAKQ_v1_0 Nature of problem The present program calculates one-electron radial wave function and energy eigenvalues by solving non-relativistic single-configuration Hartree-Fock (HF) equations for bound states of an atom. Versions of this program held in the CPC repository in Mendeley Data AAKQ_v1_0; ATOMIC SCF HARTREE-FOCK; 10.1016/0010-4655(76)90040-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/cyy5bsbmrj.1
title: Triatom: programs for the calculation of ro-vibrational spectra of triatomic molecules

description: Abstract The TRIATOM program suite calculates energy levels, wavefunctions, and where appropriate, dipole transition moments and spectra, 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 several body-fixed, internal coordinate systems based on two distances and an included angle and employ basis function expansions of orthogonal po... Title of program: DIPOLE Catalogue Id: ABJZ_v2_0 [ACNA] Nature of problem DIPOLE calculates dipole transition intensities between previously calculated wavefunction for both rotational and ro-vibrational transitions [1] or alternatively vibrational band intensities [2]. Versions of this program held in the CPC repository in Mendeley Data abjz_v1_0; DIPOLE; 10.1016/0010-4655(89)90074-X abjz_v2_0; DIPOLE; 10.1016/0010-4655(93)90048-H This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/f9zdzb2c99.1
title: Monte Carlo programs for calculating three-dimensional high-energy (50 MeV–500 GeV) hadron cascades in matter

description: Abstract Title of program: FLUKA Catalogue number: AAUH Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: CDC 6500, CDC 7600; Installation: CERN, Geneva Operating system: SCOPE 20 Programming language used: FORTRAN High speed storage required: 40, 000 words No. of bits in a word: 60 Overlay structure: None No. of magnetic tapes required: None Other peripherals used: Card reader and line-printer No. of cards in combine... Title of program: FLUKA Catalogue Id: AAUH_v1_0 Nature of problem High-energy protons incident on a target or a block of material initiate hadron cascades which transport and deposit the energy of the interacting particles in matter. The resulting distributions of star densities and energy deposition ... ADAPTATION SUMMARY: Vol:Year:Page 7:1974:327 "0001TRANKA FOR DEEP PENETRATION" "Monte Carlo programs for calculating three-dimensional high-energy (50 MeV-500GeV) hadron cascades in matter." J. Ranft; J.T. Routti Note: adaptation instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AAUH_v1_0; FLUKA; 10.1016/0010-4655(74)90030-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/h6gsck723w.1
title: A program suite for the calculation of ro-vibrational spectra of triatomic molecules

description: Abstract A program suite for the calculation of ro-vibrational eigenfunctions of triatomic molecules is presented. The suite enables first principles calculations - starting from a set of basis functions and electronic potential energy and dipole surfaces - of the energy levels, transition frequencies and synthetic stick spectra to be made. The suite is based around the main driver program TRIATOM. This has been improved, to make more efficient use of vector processors and available memory, and genera... Title of program: ROTLEVD Catalogue Id: ABJY_v1_0 Nature of problem ROTLEVD performs the second step in a two-step variational calculation for the bound ro-vibrational levels of a triatomic system. Versions of this program held in the CPC repository in Mendeley Data abjy_v1_0; ROTLEVD; 10.1016/0010-4655(89)90074-X abjy_v2_0; ROTLEVD; 10.1016/0010-4655(93)90048-H This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/h8ztptc769.1
title: Perturbation functions: PAC probe nuclei, I = 2, 5 2 , and 3

description: Abstract The program, ACOEFF, calculates several theoretical quantities that are useful for analyzing Perturbed Angular Correlation (PAC) experiments. In particular, ACOEFF calculates perturbation functions, G_(k k)(t), a(^k )_(n, n')-coefficients, and interaction frequencies for nuclear electric quadrupole interactions of PAC probe nuclei with non-axially symmetric electric field gradients. The program calculates these quantities for the specific cases of spin, I = 2, 5 2, and 3, for polycrystall... Title of program: ACOEFF Catalogue Id: ABJM_v1_0 Nature of problem In Perturbed Angular Correlation (PAC) Spectroscopy, static nuclear- electric-quadrupole interactions are described by perturbation functions (attenuation coefficients). For a quadrupole interaction with a non- axially-symmetric electric field gradient, the perturbation function calculation involves a summation over projection quantum numbers, Wigner 3-j coefficients, and the associated unitary matrix elements. Versions of this program held in the CPC repository in Mendeley Data ABJM_v1_0; ACOEFF; 10.1016/0010-4655(89)90066-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/j5s4fcbrsp.1
title: General purpose unfolding program LOUHI78 with linear and nonlinear regularizations

description: Title of program: LOUHI78 Catalogue Id: AAVD_v1_0 Nature of problem Unfolding or deconvolution or the solution of Fredholm integral equations of the first kind is required in the interpretation of several physical measurements. Examples of such include neutron spectroscopy with activation detectors, moderating spheres or proton recoil measurements and numerous others of analogous nature. The mathematical problem typically does not have a unique solution and in consequence prior knowledge of the solutions must be used by regularization or other methods to obtain ... Versions of this program held in the CPC repository in Mendeley Data AAVD_v1_0; LOUHI78; 10.1016/0010-4655(80)90081-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/jft6gn5hc6.1
title: Triatom: programs for the calculation of ro-vibrational spectra of triatomic molecules

description: Abstract The TRIATOM program suite calculates energy levels, wavefunctions, and where appropriate, dipole transition moments and spectra, 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 several body-fixed, internal coordinate systems based on two distances and an included angle and employ basis function expansions of orthogonal po... Title of program: SPECTRA Catalogue Id: ABLA_v2_0 [ACNB] Nature of problem SPECTRA generates synthetic, frequency ordered, emission or absorption spectra as a function of temperature. Gaussian line profiles and blended lines can be generated. Absolute intensities can be calculated if the necessary data to calculate the partition function is supplied. Versions of this program held in the CPC repository in Mendeley Data abla_v1_0; SPECTRA; 10.1016/0010-4655(89)90074-X abla_v2_0; SPECTRA; 10.1016/0010-4655(93)90048-H abla_v3_0; SPECTRA; 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/kyksy6hskr.1
title: STLPLT - Calcomp plot of crystallographic projections of laue photographs

description: Title of program: STLPLT Catalogue Id: AASA_v1_0 Nature of problem The program is designed to evaluate and plot the stereographic, stereognomonic and gnomonic projections from Laue photographs obtained with cycindrical, flat transmission or back reflection techniques. Versions of this program held in the CPC repository in Mendeley Data AASA_v1_0; STLPLT; 10.1016/0010-4655(70)90031-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/ncncryp4t7.1
title: NUCADA—Two adaptations of the system nucore for nuclear structure calculations

description: Title of program: NUCADA Catalogue Id: AARQ_v2_0 [AAOY] Nature of problem Calculation of nuclear energy levels and their electromagnetic properties (transitions only between levels of the same parity). The nucleus is modelled as a cluster of a few particles and/or holes interacting with a core which in turn is either modelled as a quadrupole-octupole vibrator (cluster-phonon model), or of unspecified nature (cluster-core model). The members of the cluster interact via quadrupole-quadrupole and pairing forces in the first case, and via a delta force in the second. Versions of this program held in the CPC repository in Mendeley Data AARQ_v1_0; NUCORE; 10.1016/0010-4655(82)90020-0 AARQ_v2_0; NUCADA; 10.1016/0010-4655(83)90028-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/pg9467995b.1
title: Algorithms for calculating coherent anti-stokes Raman spectra: Application to several small molecules

description: Title of program: CARS SPECTRAL PROFILES Catalogue Id: AALG_v1_0 Nature of problem Use of coherent anti-Stokes Raman spectroscopy (CARS) as a diagnostic technique requires the comparison of experimental spectra with calculated spectra to determine temperature and species concentration. In order to extract experimental values by these comparisons, the molecular Raman resonance characteristics and the effect of the laser lineshapes must be accurately modelled. Versions of this program held in the CPC repository in Mendeley Data AALG_v1_0; CARS SPECTRAL PROFILES; 10.1016/0010-4655(86)90233-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/r7hvw53srp.1
title: Fusion cross sections from measurements of delayed X-rays

description: Abstract The program XRAY is a FORTRAN 77 computer code for the extraction of fusion cross sections from delayed X-ray measurements. This is accomplished by calculating the theoretical expressions of the time dependence of the evaporation-residue cross sections and taking them as adjustable parameters in a χ2 minimization procedure. Title of program: XRAY Catalogue Id: ABFL_v1_0 Nature of problem One of the experimental methods used to determine nuclear fusion cross sections is based on measurements of the X-rays emitted during the radioactive decay of evaporation residues. This program is used to extract cross sections for the formation of each evaporation residue from the analysis of the time dependence of the corresponding activities. Versions of this program held in the CPC repository in Mendeley Data ABFL_v1_0; XRAY; 10.1016/0010-4655(88)90176-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/sfy2w92466.1
title: Matrix elements of the reaction matrix in finite nuclei

description: Title of program: REFERENCE REACTION MATRIX Catalogue Id: ABIE_v1_0 Nature of problem Matrix elements of the reaction matrix in finite nuclei are computed in the relative center-of-mass (RCM) harmonic-oscillator representation. A harmonic oscillator Pauli operator is employed together with purely kinetic particle states. The approach used follows that of Sauer. The Reid soft-core potential is employed in the code discussed. Versions of this program held in the CPC repository in Mendeley Data abie_v1_0; REFERENCE REACTION MATRIX; 10.1016/0010-4655(76)90043-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/wnc7mbf3hd.1
title: BCVEGPY2.0: An upgraded version of the generator BCVEGPY with the addition of hadroproduction of the P-wave B c states

description: Abstract The generator BCVEGPY is upgraded by improving some of its features and by adding the hadroproduction of the P-wave excited Bc states (denoted by BcJ,L=1 or by hBc and χBc). In order to make the generator more efficient, we manipulate the amplitude as compact as possible with special effort. The correctness of the program is tested by various checks. We denote it as BCVEGPY2.0. As for the added part of the P-wave production, only the dominant gluon-gluon fusion mechanism (gg→BcJ,L=1+c̄+b) is ... Title of program: BCVEGPY Catalogue Id: ADTJ_v2_0 Nature of problem Hadronic production of B c meson itself and its excited states. Versions of this program held in the CPC repository in Mendeley Data ADTJ_v1_0; BCVEGPY; 10.1016/j.cpc.2004.02.005 ADTJ_v2_0; BCVEGPY; 10.1016/j.cpc.2005.09.008 ADTJ_v2_1; BCVEGPY2.1; 10.1016/j.cpc.2006.07.014 ADTJ_v2_2; BCVEGPY2.1a; 10.1016/j.cpc.2011.08.024 ADTJ_v2_3; BCVEGPY2.2; 10.1016/j.cpc.2015.07.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/zckgjc7935.1
title: Optimal Jet Finder (v1.0 C++)

description: Abstract We describe a C++ implementation of the Optimal Jet Definition for identification of jets in hadronic final states of particle collisions. We explain interface subroutines and provide a usage example. The source code is available from http://www.inr.ac.ru/~ftkachov/projects/jets/. Title of program: Optimal Jet Finder (v1.0 C++) Catalogue Id: ADSB_v2_0 Nature of problem Analysis of hadronic final states in high energy particle collision experiments often involves identification of hadronic jets. A large number of hadrons detected in the calorimeter is reduced to a few jets by means of a jet finding algorithm. The jets are used in further analysis which would be difficult or impossible when applied directly to the hadrons. Reference [1] provides brief introduction to the subject of jet finding algorithms and a general review of the physics of jets can be found i ... Versions of this program held in the CPC repository in Mendeley Data ADSB_v1_0; OJF-014; 10.1016/S0010-4655(03)00291-1 ADSB_v2_0; Optimal Jet Finder (v1.0 C++); 10.1016/j.cpc.2006.06.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/2329zg54j7.1
title: Computation of total cross-sections for electron capture in high energy ion-atom collisions

description: Title of program: CDW 2 Catalogue Id: AAHM_v1_0 Nature of problem Calculate the cross-section for electron capture in a high energy ion- atom collision. Versions of this program held in the CPC repository in Mendeley Data AAHM_v1_0; CDW 2; 10.1016/0010-4655(81)90030-8 AAHM_v2_0; CDW2; 10.1016/0010-4655(84)90055-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)