cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/vxdjf4c8cd.1
title: RMATRX1: Belfast atomic R-matrix codes

description: Abstract RMATRX1 is a general program to calculate atomic continuum processes using the R-matrix method, including electronatom and electron-ion scattering, and radiative processes such as bound-bound transitions, photoionization and polarizabilities. Calculations can be either in LS-coupling, or in an intermediate-coupling scheme by including terms of the Breit-Pauli Hamiltonian. This version supersedes all previous versions, is well-optimised, and contains many new and improved features. Title of program: RMATRX1 Catalogue Id: ADCP_v1_0 Nature of problem This program uses the R-matrix method to calculate electron-atom and electron-ion collision processes, with options to calculate radiative data, photoionization etc. Calculations can be either in LS-coupling or in an intermediate-coupling scheme. The program is based on two earlier CPC programs [1,7], with extensions by the Opacity Project [2,8] and the Iron Project team [6]. Versions of this program held in the CPC repository in Mendeley Data ADCP_v1_0; RMATRX1; 10.1016/0010-4655(95)00123-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/wkzxywspn4.1
title: A general program to calculate angular momentum coefficients in relativistic atomic structure

description: Title of program: MCP Catalogue Id: ACRJ_v1_0 Nature of problem A number of relativistic atomic structure programs have recently become available, for example the self-consistent field programs of Liberman, Cromer and Waber (CPC 2 (1971) 107, 2 (1971) 471). ... CORRECTION SUMMARY: Vol:Year:Page 11:1976:397 "000A CORRECTION 10/06/76" "Appendix to a program to calculate angular momentum coefficients in relativistic atomic structure - revised version. (C.P.C. 5(1973)263)." I.P. Grant CORRECTION SUMMARY: Vol:Year:Page 13:1977:429 "000B CORRECTION 2/02/77" "A general program to calculate angular momentum coefficients in relativistic atomic structure. (C.P.C. 5(1973)263)." I.P. Grant Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACRJ_v1_0; MCP; 10.1016/0010-4655(73)90069-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/yhng97r4bc.1
title: A new graphical version of STROTAB: The analysis and fitting of singlet–triplet spectra of asymmetric top molecules in the prolate or oblate limits

description: Abstract The original version of STROTAB has been modified to run under Microsoft Windows using the C++ programming language. The new version takes full advantage of the Microsoft Foundation Classes available within the Microsoft Visual C++ Version 6 development environment. Specifically, windows can be created that edit the input file, summarize the results of the least-squares fit, display the calculated and observed spectra, display whole or partial sections of the calculated spectra as a stick or ... Title of program: STROTAB version number: 2 Catalogue Id: ADCA_v2_0 Nature of problem The least-squares/band contour fitting of the singlet-triplet spectra of asymmetric tops of orthorhombic symmetry using a basis set appropriate to the symmetric top limit (prolate or oblate) of the molecule in either Hund's case (a) or case (b) coupling situations. Versions of this program held in the CPC repository in Mendeley Data ADCA_v1_0; STROTAB; 10.1016/0010-4655(95)00087-9 ADCA_v2_0; STROTAB version number: 2; 10.1016/j.cpc.2007.02.094 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/ym679sts97.1
title: MLOG, the simultaneous standardization of multi-nuclide mixtures

description: Abstract We present a new version of the program SRLOG [Comput. Phys. Commun. 82 (1994) 17] which generalizes the liquid scintillation simultaneous standardization procedure applied to radiostrontiums to other multi-nuclide mixtures of interest; e.g., liquid radioactive wastes or ^(210)Pb + descendants out of equilibrium. We include in this version low-activity determinations. Title of program: MLOG Catalogue Id: ADCH_v1_0 Nature of problem The analysis of liquid radioactive wastes from reserach laboratories, hospitals and nuclear power stations frequently requires tedious chemical separations. We can significantly reduce this experimental work by applying a simultaneous standardizaton method. Liquid scintillation specrometry offers two main advantages. On the one hand, we can practically detect all nuclear decay processes; i.e., alpha, beta, gamma or electron capture. On the other, the preparation of samples is rapid and simple. H ... Versions of this program held in the CPC repository in Mendeley Data ADCH_v1_0; MLOG; 10.1016/0010-4655(95)00110-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/7gc9rk6kby.1
title: Computer algebra solving of second order ODEs using symmetry methods

description: Abstract An update of the ODEtools Maple package, for the analytical solving of 1st and 2nd order ODEs using Lie group symmetry methods, is presented. The set of routines includes an ODE-solver and user-level commands realizing most of the relevant steps of the symmetry scheme. The package also includes commands for testing the returned results, and for classifying 1st and 2nd order ODEs. Title of program: ODEtools Catalogue Id: ADFP_v2_0 [ADHH] Nature of problem Analytical solving of first and second order ordinary differential equations using symmetry methods, and the inverse problem; that is, given a set of point and/or dynamical symmetries, to find the most general invariant first or second order ODE. Versions of this program held in the CPC repository in Mendeley Data ADFP_v1_0; ODEtools; 10.1016/S0010-4655(97)00018-0 ADFP_v2_0; ODEtools; 10.1016/S0010-4655(97)00132-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/7mkvp9pm8h.1
title: Third version of a program for calculating the static interaction potential between an electron and a diatomic molecule

description: Title of program: ONE CENTRE STATIC POTENTIAL Catalogue Id: ACQW_v3_0 [ACZR] Nature of problem The program calculates one-centre expansions for the two-centre wave function of a diatomic molecule ... CORRECTION SUMMARY: Vol:Year:Page 41:1986:179 "000A CORRECTION 28/01/86" "Errors in the three CPC versions of the program to calculate the single centre expansion of the electron diatomic-molecule static potential. (C.P.C. 20(1980)267)." L. Malegat; M. Le Dourneuf; V.K. Lan ADAPTATION SUMMARY: Vol:Year:Page 41:1986:179 "0001 PARAMETRIZED DIMENSIONS" "Errors in the three CPC versions of the program to calculate the single centre expansion of the electron diatomic-molecule static potential." L. Malegat; M. Le Dourneuf; V.K. Lan Note: adaptation instructions are contained in source code Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACQW_v1_0; STATIC INTERACTION POTENTIAL; 10.1016/0010-4655(71)90002-6 ACQW_v2_0; OCEP W.F. AND STATIC POTENTIAL; 10.1016/0010-4655(76)90055-2 ACQW_v3_0; ONE CENTRE STATIC POTENTIAL; 10.1016/0010-4655(80)90006-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/f86v3pbf2m.1
title: The CHEASE code for toroidal MHD equilibria

description: Abstract The CHEASE code (Cubic Hermite Element Axisymmetric Static Equilibrium) solves the Grad-Shafranov equation for toroidal MHD equilibria using a Hermite bicubic finite element discretization with pressure, current profiles and plasma boundaries specified by analytical forms or sets of experimental data points. Moreover, CHEASE allows the automatic generation of pressure profiles marginally stable to ballooning modes or with a prescribed fraction of bootstrap current. The code provides equilibri... Title of program: CHEASE Catalogue Id: ADDH_v1_0 Nature of problem CHEASE [1] solves the Grad-Shafranov equation [2, 3, 4] for the MHD equilibrium of a Tokamak-like plasma with pressure and current profiles specified by analytic forms or sets of data points. Equilibria marginally stable to ballooning modes [5] or with a prescribed fraction of bootstrap current [6, 7, 8] can be computed. The code provides a mapping to magnetic flux coordinates, suitable for MHD stability calculations or global wave propagation studies. The code computes equilibrium quantities fo ... Versions of this program held in the CPC repository in Mendeley Data ADDH_v1_0; CHEASE; 10.1016/0010-4655(96)00046-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/g5mww5k8mj.1
title: CFPJJ—Fractional parentage coefficients for equivalent electrons in jj-coupling

description: Title of program: CFPJJ - CFP IN JJ-COUPLING Catalogue Id: ACRI_v1_0 Nature of problem This program calculates the coefficients of fractional parentage in jj- coupling. CORRECTION SUMMARY: Vol:Year:Page 14:1978:311 "000A CORRECTION 08/05/77" "CFPJJ: fractional parentage coefficients for equivalent electrons in jj-coupling. (C.P.C. 4(1972)377)." I.P. Grant Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACRI_v1_0; CFPJJ - CFP IN JJ-COUPLING; 10.1016/0010-4655(72)90100-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/rdhvjgxpy9.1
title: Monte Carlo program KORALW 1.02 for W-pair production at energies with Yennie-Frautschi-Suura exponentiation

description: Program title: KORALW 1.02 Catalogue ID: ADCT_v1_0 Abstract The Monte Carlo program KORALW version 1.02 for W-pair production is presented. Its main features are: multiple initial state photonic radiation with finite transverse photon momenta generated according to the Yennie-Frautschi-Suura Monte Carlo technique and massive kinematics for all final particles. Matrix element features second-order leading-logarithmic initial-state QED corrections. The dedicated semi-analytical program KORWAN, with structure-function based leading-logarithmic initial-state ... Nature of problem The W pair production and decay will be used as an important data point for precise tests of the standard electroweak theory at LEP2 and higher energies. The effects due to QED bremsstrahlung and apparatus efficiency have to be subtracted from the data. The program includes also effects of the secondary decays, i.e. hadronization of quarks and tau lepton decays. Versions of this program held in the CPC repository in Mendeley Data ADCT_v1_0; KORALW 1.02; 10.1016/0010-4655(95)00133-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/vnhxbcxk7p.1
title: Numerical solution of Q 2 evolution equations in a brute-force method

description: Abstract We investigate the numerical solution of Q^2evolution equations for structure functions in the nucleon and in nuclei. (Dokshitzer-Gribov-Lipatov-)Altarelli-Parisi and Mueller-Qiu evolution equations are solved in a brute-force method. Spin-independent flavor-nonsinglet and singlet equations with next-to-leading-order α_scorrections are studied. Dividing the variables x and Q^2into small steps, we simply solve the integrodifferential equations. Numerical results indicate that accuracy is... Title of program: BF1 Catalogue Id: ADDB_v1_0 Nature of problem This program solves Altarelli-Parisi Equations or modified evolution equations (Mueller-Qiu) with or without next-to-leading-order alphas effects for a spin-independent structure function or quark distribution. Both flavor-nonsinglet and singlet cases are provided, so that the distributions, xq , xq , xq+ = xq + xqbar (i=quark flavor), xg, xF , NS S i - i i NS xF , and xF+ in the nucleon and in nuclei can be evolved. S i Versions of this program held in the CPC repository in Mendeley Data ADDB_v1_0; BF1; 10.1016/0010-4655(96)00013-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/wyk2pkjp4b.1
title: GITA: A REDUCE program for the normalization of polynomial Hamiltonians

description: Abstract For a given polynomial Hamiltonian near an equilibrium point the program GITA calculates analytically the normal Birkhoff-Gustavson form in Cartesian as well as angle-action coordinates and the formal integral of the motion. These quantities are presented in the form of a truncated power series, the highest degree of which determines the degree of the approximation. The program performs the calculation of the modified normal Birkhoff-Gustavson form for the Hamiltonian restricted by the resona... Title of program: GITA Catalogue Id: ADBW_v1_0 Nature of problem The preparation of the normal Birkhoff-Gustavson form is the universal and consistent method of investigation of classical Hamiltonian systems [1-3]. Additionally in recent years the normal Birkhoff-Gustavson form has been used for the quantisation of classical trajectories with the aim of studying the quantum manifestation of the classical chaos in the quasi-classical approximation [4]. But the procedure of reducing the initial Hamiltonian to normal form [2] is very cumbersome, and one needs to ... Versions of this program held in the CPC repository in Mendeley Data ADBW_v1_0; GITA; 10.1016/0010-4655(95)00080-Y This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/x73wmjzj5c.1
title: A new version of a program calculating the static interaction potential between an electron and a diatomic molecule

description: Title of program: OCEP W.F. AND STATIC POTENTIAL Catalogue Id: ACQW_v2_0 [ACWO] Nature of problem This program calculates in one-centre expansion (OCE) form the wavefunction for a diatomic molecule and also the multipolar expansion of its static interaction with a point charge. It corrects some errors contained in a previous version of this program and provides both potential and wave function in a form suitable for using in a program to calculate electron molecule scattering. Versions of this program held in the CPC repository in Mendeley Data ACQW_v1_0; STATIC INTERACTION POTENTIAL; 10.1016/0010-4655(71)90002-6 ACQW_v2_0; OCEP W.F. AND STATIC POTENTIAL; 10.1016/0010-4655(76)90055-2 ACQW_v3_0; ONE CENTRE STATIC POTENTIAL; 10.1016/0010-4655(80)90006-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/2h59s2rh77.1
title: A program to calculate radiative recombination coefficients of hydrogenic ions

description: Title of program: HYDROGENIC RECOMBINATION COEFFS Catalogue Id: ACQD_v1_0 Nature of problem Radiative recombination coefficients are required for various problems in physics and astrophysics; one such problem is the calculation of the ionization equilibria and recombination spectra of gaseous nebulae. It is desirable that the calculation of these coefficients should be completely automatic. A program has therefore been written to calculate the coefficients alphan(Z,T) for radiative recombination to energy levels of principal quantum number n of hydrogenic ions, Z being the nuclear char ... Versions of this program held in the CPC repository in Mendeley Data ACQD_v1_0; HYDROGENIC RECOMBINATION COEFFS; 10.1016/0010-4655(69)90016-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/7tt8bs99yv.1
title: Accurate numerical solution of the radial Schrödinger and Dirac wave equations

description: Abstract A FORTRAN 77 subroutine package for the numerical solution of the Schrödinger and Dirac wave equations for central fields is presented. The considered fields are such that the function ν(r) ≡ rV(r) is finite for all r and tends to constant values for r → 0 and r → ∞. This includes finite-range fields as well as combinations of Coulomb and short-range fields. The potential energy function V(r) used in the calculation is the natural cubic spline that interpolates a table of values provided by t... Title of program: RADIAL Catalogue Id: ADBP_v1_0 Nature of problem This subroutine package provides numerical solutions of the Schrodinger and Dirac radial equations for central fields such that nu(r) equivalent r V(r) is finite for all r and tends to constant values when r -&gt; 0 and r -&gt; infinity. Normalized radial functions, eigenvalues for bound states and phase shifts for free states are calculated to a prescribed accuracy, which is specified by the input parameter epsilon. Versions of this program held in the CPC repository in Mendeley Data ADBP_v1_0; RADIAL; 10.1016/0010-4655(95)00039-I This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/983njn88ts.1
title: Corrected ISICS program versions available due to a minor calculation error involving M3 X-ray production cross sections

description: Abstract The Coster–Kronig enhancement factor for M3 shell X-ray production cross sections was found to be incorrectly calculated in all versions of ISICS. The affected program has been corrected and replaced in all versions of ISICS. Title of program: ISICS2011 and predecessor versions. Catalogue Id: ADDS_v3_1.tar Nature of problem Ionization and X-ray production cross sections for ion-atom collisions. Versions of this program held in the CPC repository in Mendeley Data adds_v1_0.gz; ISICS; 10.1016/0010-4655(96)00068-9 adds_v1_1.tar; ISICS2011 and predecessor versions.; 10.1016/j.cpc.2013.02.017 adds_v2_0.tar; ISICS; 10.1016/j.cpc.2006.08.004 adds_v2_1.tar; ISICS2011 and predecessor versions.; 10.1016/j.cpc.2013.02.017 adds_v3_0.tar; ISICS; 10.1016/j.cpc.2008.06.003 adds_v3_1.tar; ISICS2011 and predecessor versions.; 10.1016/j.cpc.2013.02.017 adds_v4_0.tar; ISICS2008; 10.1016/j.cpc.2009.04.019 adds_v4_1.tar; ISICS2011 and predecessor versions.; 10.1016/j.cpc.2013.02.017 adds_v5_0.tar; ISICS2011; 10.1016/j.cpc.2011.06.004 adds_v5_1.tar; ISICS2011 and predecessor versions.; 10.1016/j.cpc.2013.02.017 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/bw65mp326s.1
title: LINDEN: Code for level density calculations of deformed nuclei using Lipkin–Nogami projectors in the BCS approach

description: Abstract A numerical code to evaluate the level density for deformed nuclei based on the semimicroscopical combined method is presented. It includes the use of combinatorial and statistical approaches for low and high energies respectively; both calculations are carried out in the framework of the BCS with the Lipkin–Nogami pairing model. Title of program: LINDEN Catalogue Id: ADAI_v2_0 [ADOC] Nature of problem The level density for nuclear reaction cross section calculations, using a combined method [1] with the Lipkin-Nogami approximation [2], is obtained. The level density is computed at high excitation energy by using a quantum-statistical model [3]. At low excitation energy the level density is calculated from quasiparticle spectra obtained with the Lipkin-Nogami model. This program is a new version of DENCOM [1]. Versions of this program held in the CPC repository in Mendeley Data ADAI_v1_0; DENCOM; 10.1016/0010-4655(94)00137-Q ADAI_v2_0; LINDEN; 10.1016/S0010-4655(01)00156-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/chp2gy65mm.1
title: RFSFNS: A portable package for the numerical determination of the number and the calculation of roots of Bessel functions

description: Abstract A portable software package, named RFSFNS, is presented for the localization and computation of the simple real zeros of the Bessel functions of first and second kind, J_v (z), Y_v (z), respectively, and their derivatives, where v ≥ 0 and z &gt; 0. This package implements the topological degree theory for the localization portion and a modified bisection method for the computation one. It localizes, isolates and computes with certainty all the desired zeros of the above functions in a predetermi... Title of program: RFSFNS Catalogue Id: ADCK_v1_0 Nature of problem Bessel functions and their zeros are encountered in many problems of Mathematical Physics, such as: the cyclic membrane vibrations, the temperature distribution in a solid cylinder or in a solid sphere, the diffraction of a plane electromagnetic wave by a conducting cylinder, the quantum billiards, etc. Versions of this program held in the CPC repository in Mendeley Data ADCK_v1_0; RFSFNS; 10.1016/0010-4655(95)00115-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/chrzjbrt66.1
title: McTrap, a program for the computation of radiation trapping in 3-level atoms including bleaching effects

description: Abstract McTrap computes radiation trapping including bleaching effects and particle diffusion in a two-dimensional cylinder geometry. It combines Monte Carlo simulations of radiation trapping and analytical solutions of the diffusion equation for a highly efficient computation of the distribution of excited atoms. The spectral lineshapes can be freely chosen. Commonly occurring special cases, like two-level atoms, one-dimensional geometries (plane-parallel slab and infinite cylinder) etc. can also si... Title of program: McTrap Catalogue Id: ADCC_v1_0 Nature of problem Computation of the bleaching of ground state atoms in 3-level atoms in a two-dimensional cylindrical cell, with inclusion of particle diffusion, and of nonlinear trapping in such a geometry. The program can be easily specialized to treat the simpler, more usual radiation trapping problems. Versions of this program held in the CPC repository in Mendeley Data ADCC_v1_0; McTrap; 10.1016/0010-4655(95)00093-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/g9ptzwbb59.1
title: A general program for calculating angular momentum integrals in atomic structure

description: Title of program: WEIGHTS Catalogue Id: ACQL_v1_0 Nature of problem In configuration interaction calculations, one wishes to evaluate the matrix of the Hamiltonian operator with respect to a basis set of configuration wave functions. The more difficult part of this procedure is the determination of the two-electron interaction matrix elements. These matrix elements may be written as a weighted sum of radial Slater integrals. The program calculates the coefficients of these integrals. Versions of this program held in the CPC repository in Mendeley Data ACQL_v1_0; WEIGHTS; 10.1016/0010-4655(70)90037-8 ACQL_v2_0; WEIGHTS NEW VERSION; 10.1016/0010-4655(71)90051-8 ACQL_v3_0; WEIGHTS A MORE EFFICIENT VERSION; 10.1016/0010-4655(82)90054-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)