cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.3564306
title: IO Islamic 1986. Lubb-altawârîkh,General History

description: IO Islamic 1986. Lubb-altawârîkh,General History
DOI: 10.5281/zenodo.3564307
title: IO Islamic 1986. Lubb-altawârîkh,General History

description: IO Islamic 1986. Lubb-altawârîkh,General History
DOI: 10.17632/32kwbxyvj9.1
title: Massively parallel data processing for quantitative total flow imaging with optical coherence microscopy and tomography

description: Abstract We present an application of massively parallel processing of quantitative flow measurements data acquired using spectral optical coherence microscopy (SOCM). The need for massive signal processing of these particular datasets has been a major hurdle for many applications based on SOCM. In view of this difficulty, we implemented and adapted quantitative total flow estimation algorithms on graphics processing units (GPU) and achieved a 150 fold reduction in processing time when compared to a f... Title of program: CudaOCMproc Catalogue Id: AFBT_v1_0 Nature of problem Speed up of data processing in optical coherence microscopy Versions of this program held in the CPC repository in Mendeley Data AFBT_v1_0; CudaOCMproc; 10.1016/j.cpc.2017.03.008 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/3tk2ysgdvw.1
title: SCELib2: the new revision of SCELib, the parallel computational library of molecular properties in the single center approach

description: Abstract In this paper we present the new version of the SCELib program (CPC Catalogue identifier ADMG) a full numerical implementation of the Single Center Expansion (SCE) method. The physics involved is that of producing the SCE description of molecular electronic densities, of molecular electrostatic potentials and of molecular perturbed potentials due to a point negative or positive charge. This new revision of the program has been optimized to run in serial as well as in parallel execution mode, ... Title of program: SCELib Catalogue Id: ADMG_v2_0 [ADUG] Nature of problem In this set of codes an efficient procedure is implemented to describe the wavefunction and related molecular properties of a polyatomic molecular system within the Single Center of Expansion (SCE) approximation. The resulting SCE wavefunction, electron density, electrostatic and exchange/correlation potentials can then be used via a proper Application Programming Interface (API) to describe the target molecular system which can be employed in electron-molecule scattering calculations. The molec ... Versions of this program held in the CPC repository in Mendeley Data ADMG_v1_0; SCELib; 10.1016/S0010-4655(00)00078-3 ADMG_v2_0; SCELib; 10.1016/j.cpc.2004.06.067 ADMG_v3_0; SCELib3.0; 10.1016/j.cpc.2009.07.009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/5yzfhbv4pw.1
title: LanHEP—a package for the automatic generation of Feynman rules in field theory. Version 3.0

description: Abstract The LanHEP program version 3.0 for Feynman rules generation from the Lagrangian is described. It reads the Lagrangian written in a compact form, close to the one used in publications. It means that Lagrangian terms can be written with summation over indices of broken symmetries and using special symbols for complicated expressions, such as covariant derivative and strength tensor for gauge fields. Supersymmetric theories can be described using the superpotential formalism and the 2-component ... Title of program: LanHEP Catalogue Id: AECH_v1_0 Nature of problem Deriving Feynman rules from the Lagrangian. Versions of this program held in the CPC repository in Mendeley Data AECH_v1_0; LanHEP; 10.1016/j.cpc.2008.10.012 AECH_v2_0; LanHEP; 10.1016/j.cpc.2016.01.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/8f87zhskj7.1
title: Accurate crystal fields for embedded cluster calculations

description: Abstract Local electronic structure defects in ionic crystals is commonly modeled using embedded cluster calculations. In this context we describe how to embed the quantum cluster (QC) in an array of point charges. Specifically, the method calculates an array of point charges that reproduces the electrostatic potential of the infinite crystal within an accuracy usually &lt;1 μV in the interior of the QC. Title of program: Ewald Catalogue Id: ADME_v1_0 Nature of problem The electrostatic potential, due to the crystal field (CF) in a periodic system can be calculated using the Ewald summation method [1]. To model local electronic structure defects in ionic crystals a periodic approach should not be used because a periodic approach can not handle defects with charge or dipole moment. Instead the system is modelled as a quantum cluster (QC) embedded in an array of point charges. In this paper we describe how to choose these point charges to obtain Ewald-like elect ... Versions of this program held in the CPC repository in Mendeley Data ADME_v1_0; Ewald; 10.1016/S0010-4655(00)00071-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/8zr5vk2s4d.1
title: NEXTCALIBUR – A four-fermion generator for electron–positron collisions

description: Abstract A fully massive Monte Carlo program to compute all four-fermion processes in e^+ e^-collisions, including Higgs boson production, is presented. Leading higher order effects are discussed and included. Title of program: NEXTCALIBUR Catalogue Id: ADNS_v1_0 Nature of problem Four-fermion production is and will be investigated at e+e- colliders in a wide range of energies. Fermion masses have to be included when studying Higgs boson production and processes with forward scattered electrons. A Monte Carlo program being able to take into account both signal and background electroweak diagrams for four-fermion processes, without neglecting fermion masses, is therefore required. Higher order effects, such as the QED radiation evaluated at the proper scale, have also to b ... Versions of this program held in the CPC repository in Mendeley Data ADNS_v1_0; NEXTCALIBUR; 10.1016/S0010-4655(00)00247-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/b8gjt52j7r.1
title: An extension of the Prelle–Singer method and a Maple implementation

description: Abstract The Prelle–Singer method is a semi-decision algorithm which can be used to solve analytically first order ordinary differential equations which have solutions in terms of elementary functions. In this paper we develop an extension to the Prelle–Singer method which deals with first order ordinary differential equations whose solutions lie outside the scope of the standard Prelle–Singer method. We present a software package in Maple V, Release 5 which implements both the Prelle–Singer method in... Title of program: PSsolver Catalogue Id: ADPR_v1_0 Nature of problem Symbolic solution of first order differential equations via the Prelle-Singer method. Versions of this program held in the CPC repository in Mendeley Data ADPR_v1_0; PSsolver; 10.1016/S0010-4655(01)00462-3 ADPR_v2_0; PSsolver; 10.1016/j.cpc.2012.04.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/bmm7rnyvbf.1
title: DVR1D: programs for mixed pointwise/basis set calculation of ro-vibrational spectra

description: Abstract DVR1D calculates vibrational energy levels and wavefunctions for triatomic molecules in either scattering (Jacobi) or Radau coordinates for a given potential. The program uses a discrete variable representation (DVR) for the angular coordinate and a choice of basis functions for the radial coordinates. The program is particularly appropriate for high lying vibrational states. The accompanying program ROTLEV2 is driven by DVR1D and calculates rotationally excited states of AB ... Title of program: ROTLEV2 Catalogue Id: ACND_v1_0 Nature of problem ROTLEV2 performs the second step in a two-step variational calculation for the bound ro-vibrational levels of an AB2 molecule using Radau coordinates [1]. Versions of this program held in the CPC repository in Mendeley Data acnd_v1_0; ROTLEV2; 10.1016/0010-4655(93)90049-I This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/brnmfcygwf.1
title: Abacus: A natural language for the numerical computation of mathematical formulae

description: Title of program: ABACUS Catalogue Id: ACFC_v1_0 Nature of problem The program allows interactive computation of mathematical formulae, iterative procedures and metric conversions. Versions of this program held in the CPC repository in Mendeley Data ACFC_v1_0; ABACUS; 10.1016/0010-4655(83)90096-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/j3ngm3z7vk.1
title: SSM: a set of subprograms for calculating eigenvalues for a diatomic molecule using a simplified shooting method

description: Abstract This paper describes a set of subprograms to calculate accurate eigenvalues of the radial Schrödinger equation using a recent simplified shooting method. A total of nine subprograms were written to deal with three different potentials (Morse, Lennard-Jones and RKR) using one of three difference equations (Numerov, Cash and Raptis and Integral Superposition). Examples of using these subprograms are also given. Title of program: SSM Catalogue Id: ACJS_v1_0 Nature of problem SSM calculates eigenvalues for the radial Schrodinger equation using the recent simplified shooting method. Versions of this program held in the CPC repository in Mendeley Data ACJS_v1_0; SSM; 10.1016/0010-4655(93)90099-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/jm8msrggtv.1
title: CPsuperH: a computational tool for Higgs phenomenology in the minimal supersymmetric standard model with explicit CP violation

description: Abstract We provide a detailed description of the Fortran code CPsuperH, a newly-developed computational package that calculates the mass spectrum and decay widths of the neutral and charged Higgs bosons in the Minimal Supersymmetric Standard Model with explicit CP violation. 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 Higgs-boson pole-ma... Title of program: CPsuperH Catalogue Id: ADSR_v1_0 Nature of problem The mass spectrum, decay widths and branching ratios of the neutral and charged Higgs bosons in the Minimal Supersymmetric Standard Model with explicit CP violation are calculated. 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 Higgs-boson pole-mass shifts. The couplings of Higgs bosons to the Standard Model guage bosons and fermions, ... 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/knvrc2cjt5.1
title: The evaluation of transition matrix elements for atomic excitations by a screened Coulomb potential

description: Abstract We have developed a FORTRAN code for calculating screened potential matrix elements for transitions between atomic bound states. In the applied procedure, the target wave functions can be arbitrarily chosen, and a wide class of screening potentials can be applied. The program includes subroutines for the calculation of the modified Bessel functions of fractional order and their derivatives for a broad range of argument and order. Title of program: SCRMTRX Catalogue Id: ADRB_v1_0 Nature of problem The electronic screening effect plays an important role in ion-atom collisions. Atomic or molecular transitions are often induced by the screened Coulomb potentials of atoms or partially ionized ions. The corresponding screening matrix elements are often required in theoretical descriptions. The SCRMTRX program calculates such screening matrix elements for bound-bound transitions for arbitrarily chosen target wave functions. Versions of this program held in the CPC repository in Mendeley Data ADRB_v1_0; SCRMTRX; 10.1016/S0010-4655(02)00696-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/mg4gc63h8x.1
title: A Macsyma program for computing analytic Clebsch–Gordan coefficients of U(3)⊃SO(3)

description: Abstract Part 1 of the program generates the reduced matrix elements of the spherical tensor operator Q from which the matrix elements of all U(3) generators can be obtained. Part 2 computes the isoscalar factors for the coupling of two U(3) irreps. The basis used is symmetry adapted to SO(3)⊃SO(2) , as is desired for describing collective nuclear motion. The output of the matrix elements as well as the isosc... Title of program: exactU3clebsch Catalogue Id: ADOL_v1_0 Nature of problem Elliott's nuclear SU(3) model [1,2] describes collective nuclear motion by considering the leading SU(3) irrep within the totally antisymmetric tensor product space of the valence nucleons. A rotational spectrum is expected, hence the basis for the irrep space should be symmetry adapted to the rotation group SO(3). The reduced matrix elements of the spherical tensor operator Q are needed to compute the electromagnetic transition rates. When coupling two SU(3) contained in SO(3) irreps to good SU ... Versions of this program held in the CPC repository in Mendeley Data ADOL_v1_0; exactU3clebsch; 10.1016/S0010-4655(01)00205-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/tx23vyj6gr.1
title: Photon absorption and scattering cross-sections by triaxial nuclei

description: Abstract A FORTRAN routine is presented for the calculation of photon absorption and scattering cross-sections by triaxial nuclei in the energy region of the giant dipole resonance. The relevant formalism is based on the interacting-boson model of nuclear structure, also including the isospin degree of freedom. Title of program: TRIAXI Catalogue Id: ACGI_v1_0 Nature of problem A group-theoretical formalism has been developed and implemented in a fast routine in order to deal with photon-induced reactions on triaxial nuclei in the energy region dominated by the giant dipole resonance (GDR), which typically ranges between 10 and 30 MeV. The present approach is based on the interacting boson model of nuclear structure, allowing for coupling between GDR and low-lying collective modes of the nucleus. Isospin degree of freedom can also be included in the calculations. The c ... Versions of this program held in the CPC repository in Mendeley Data ACGI_v1_0; TRIAXI; 10.1016/0010-4655(92)90101-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/w2znrd28kp.1
title: RELCI: A program for relativistic configuration interaction calculations ☆

description: Abstract The set-up and diagonalization of (large) Hamiltonian matrices are two key elements in studying the structure and properties of many-electron atoms and ions. The efficiency in dealing with these tasks eventually determines for which atomic systems useful ab initio predictions can be made today and how accurate these predictions are. To facilitate further structure calculations, in particular for open-shell atoms and ions, here we present a new configuration interaction program in the framewor... Title of program: RELCI Catalogue Id: ADQH_v1_0 Nature of problem Approximate atomic wave functions are determined by diagonalizing the Hamiltonian matrix within an appropriate many-particle basis. Here, the construction of the configuration interaction (CI) basis follows the same principles as in the structure code GRASP92 [1] which is utilized to generate the configuration state functions (CSF) and the radial orbitals for all subshells of the given active space. Versions of this program held in the CPC repository in Mendeley Data ADQH_v1_0; RELCI; 10.1016/S0010-4655(02)00463-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/2t9s3vp69w.1
title: A program for the calculation of the intensities of x-ray or neutron powder reflections, part 3

description: Title of program: FIREFLY VI (FIRECOMET) Catalogue Id: ACFX_v1_0 Nature of problem The program FIREFLY VI (FIRECOMET) is an extension of the earlier programs FIREFLY II and IV. It calculates the intensities of X-ray or neutron Bragg reflections with particular reference to the powder method. The program is very flexible and allows the intensities of some or all the reflections to be calculated provided the unit cell and its contents are specified together with the equipment used and, if necessary, temperature and absorption factors. Provision is made for the comparison of obse ... Versions of this program held in the CPC repository in Mendeley Data ACFX_v1_0; FIREFLY VI (FIRECOMET); 10.1016/0010-4655(84)90010-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/5t3fh46nrw.1
title: Parabolic cylinder functions U(n, x) for natural n and positive x

description: Abstract A subroutine for the calculation of parabolic cylinder functions U(n, x) is provided. These functions occur frequently in statistical thermodynamics. Title of program: PARACYL Catalogue Id: ACGO_v1_0 Nature of problem The parabolic cylinder functions U(n,x) occur frequently in statistical thermodynamics. A subroutine for the calculation of the U(n,x) for natural n is provided. Versions of this program held in the CPC repository in Mendeley Data ACGO_v1_0; PARACYL; 10.1016/0010-4655(92)90179-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/8rx9gp4m7y.1
title: SCELib3.0: The new revision of SCELib, the parallel computational library of molecular properties in the Single Center Approach

description: Abstract SCELib is a computer program which implements the Single Center Expansion (SCE) method to describe molecular electronic densities and the interaction potentials between a charged projectile (electron or positron) and a target molecular system. The first version (CPC Catalog identifier ADMG_v1_0) was submitted to the CPC Program Library in 2000, and version 2.0 (ADMG_v2_0) was submitted in 2004. We here announce the new release 3.0 which presents additional features with respect to the previou... Title of program: SCELib3.0 Catalogue Id: ADMG_v3_0 Nature of problem In this set of codes an efficient procedure is implemented to describe the wavefunction and related molecular properties of a polyatomic molecular system within the Single Center of Expansion (SCE) approximation. The resulting SCE wavefunction, electron density, electrostatic and correlation/polarisation potentials can then be used in a wide variety of applications, such as electron-molecule scattering calculations, quantum chemistry studies, biomodelling and drug design. Versions of this program held in the CPC repository in Mendeley Data ADMG_v1_0; SCELib; 10.1016/S0010-4655(00)00078-3 ADMG_v2_0; SCELib; 10.1016/j.cpc.2004.06.067 ADMG_v3_0; SCELib3.0; 10.1016/j.cpc.2009.07.009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/9x9dy6559f.1
title: A Mathematica program for the calculation of five-body Moshinsky brackets

description: Abstract Five-body Moshinsky brackets that relate harmonic oscillator wavefunctions in two different sets of Jacobi coordinates make it straightforward to calculate some matrix elements in the variational calculations of five-body systems. The analytical expression of these transformation coefficients and the computer code written in the Mathematica language are presented here for accurate calculations. Title of program: FBMB Catalogue Id: AEZT_v1_0 Nature of problem The calculation of five-body Moshinsky brackets Versions of this program held in the CPC repository in Mendeley Data AEZT_v1_0; FBMB; 10.1016/j.cpc.2016.02.016 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/df867swffz.1
title: Programs for algebraic calculation of angular momentum coupling

description: Abstract Two programs are developed for the purpose of algebraic calculation of angular momentum coupling. The first program algebraically carries out the summation of products of many Clebsch-Gordan coefficients with respect to the magnetic quantum numbers, and the second one the summation of products of many 6-j symbols with respect to the azimuthal quantum numbers. All are done by symbolic manipulation. Title of program: KENTARO/KENJIRO Catalogue Id: ACGB_v1_0 Nature of problem The computer programs, KENTARO and KENJIRO, allow algebraic calculation of the angular momentum coupling. The first program can execute the summation of products of many Clebsch-Gordan coefficients with respect to the magnetic quantum numbers, and the second one the summation of products of many six-j symbols with respect to the azimuthal quantum numbers. Versions of this program held in the CPC repository in Mendeley Data ACGB_v1_0; KENTARO/KENJIRO; 10.1016/0010-4655(92)90135-L This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/dtp524xbp8.1
title: Pomwig: Herwig for diffractive interactions

description: Abstract We have modified the Herwig event generator to incorporate diffractive interactions. All standard Herwig hard subprocesses are available. Title of program: POMWIG 1.1 Catalogue Id: ADPP_v1_0 Nature of problem The nature of the pomeron, a strongly interacting colorless exchange, has been studied widely in both proton-proton and electron-proton collisions. Factorizable models, in which the proton 'emits' a pomeron which undergoes a hard interaction with the other beam particle, have met with considerable success in electron-proton collisions [2], although their applicability in proton-proton collisions is as yet uncertain. In understanding the nature of diffraction experimentally, it is crucial to have ... Versions of this program held in the CPC repository in Mendeley Data ADPP_v1_0; POMWIG 1.1; 10.1016/S0010-4655(01)00467-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/fb4rf33jw5.1
title: Calculation of effective conductivity of 2D and 3D composite materials with anisotropic constituents and different inclusion shapes in Mathematica

description: Abstract The study of the effective properties of composite materials with anisotropic constituents and different inclusion shapes has motivated the development of the Mathematica 6.0 package “CompositeMaterials”. This package can be used to calculate the effective anisotropic conductivity tensor of two-phase composites. Any fiber cross section, even percolating ones, can be studied in the 2D composites. “Rectangular Prism” and “Ellipsoidal” inclusion shapes with arbitrary orientations can be investig... Title of program: CompositeMaterials Catalogue Id: AEAU_v1_0 Nature of problem The calculation of effective thermal conductivity tensor for two-dimensional and three-dimensional composite materials with anisotropic constituents and different inclusion shapes. Versions of this program held in the CPC repository in Mendeley Data AEAU_v1_0; CompositeMaterials; 10.1016/j.cpc.2008.02.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)