cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/yk6mhshyd4.1
title: GFIT - generalized quadratic approximation of functions under constraints

description: Abstract A method and a program are described for the minimization of a function of the type Σ[inx(x){y(x) - f(x, p)} ^2 , where f(x, p) is a regression, non-linear with respect to the parameter p, and satisfying some additional condition, given by a constraint r(x, p)) = 0. The problem is solved using a special recalculation of the weight function w(x) so that this constraint is taken into account. The method is the most appropriate and efficient for the solution of problems of decompositional filter... Title of program: GFIT Catalogue Id: ABHX_v1_0 Nature of problem The program is intended to extract components from the functions using techniques of the weighted least-squares fitting. The field of applications is the decomposition or filteration of the experimental distributions. Versions of this program held in the CPC repository in Mendeley Data ABHX_v1_0; GFIT; 10.1016/0010-4655(89)90097-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/znf4z7nj5s.1
title: Computation of S-state binding energy and wave functions in a Saxon-woods potential

description: Title of program: BSSW Catalogue Id: ABGL_v1_0 Nature of problem The program computes the energy and the wave function of the s-state in a Saxon-Woods potential. It can also determine the well depth or radius which fits a given binding energy. Versions of this program held in the CPC repository in Mendeley Data ABGL_v1_0; BSSW; 10.1016/0010-4655(73)90018-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/684mrzfkzd.1
title: EXLAM, a program for the calculation and expansion of local model exchange potentials

description: Title of program: EXLAM Catalogue Id: AANY_v1_0 Nature of problem The free-electron-gas and semi-classical local model exchange potentials are calculated. The resulting model exchange potential is expanded in Legendre polynomials in a single-center coordinate system. Versions of this program held in the CPC repository in Mendeley Data AANY_v1_0; EXLAM; 10.1016/0010-4655(83)90057-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/7swp935dw7.1
title: A program for the simulation and analysis of open atmospheric balloon soundings

description: Abstract The equation of motion for a balloon in an atmosphere is generalized but placed in proper context by taking into account some fluid theory results and a few factors not considered in previous works. The design of a computer program becomes necessary to find solutions. A code that allows to perform 2D simulations of open balloons flights is developed. The coupled integrodifferential nature of the problem represented a significant challenge for a satisfactory implementation. Title of program: Balloon Catalogue Id: ADRA_v1_0 Nature of problem A version of the balloon equation of motion in an atmosphere that contemplates features not considered in previous works is presented. A coupled integrodifferential set results in the most general case. Numerical solutions become necessary to describe balloon dynamics but in a few simple cases. This work is intended for previous simulations of soundings, postflight analysis or general study of open balloon dynamics. Versions of this program held in the CPC repository in Mendeley Data ADRA_v1_0; Balloon; 10.1016/S0010-4655(02)00695-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/8m7w4gwt4m.1
title: A computer program for calculating non-LTE model stellar atmospheres

description: Abstract The program calculates model stellar atmospheres, assuming plane-parallel, horizontally homogeneous atmosphere in radiative and hydrostatic equilibrium, and allowing for departures from local thermodynamic equilibrium (LTE) for a set of occupation numbers of selected atomic and ionic energy levels. The program is very flexible as to the choice of chemical. Title of program: TLUSTY Catalogue Id: ABFK_v1_0 Nature of problem The program computes model stellar atmospheres, assuming plane-parallel, horizontally homogeneous atmosphere in radiative and hydrostatic equilibrium, and allowing for departures from local thermodynamic equilibrium (LTE) for a set of occupation numbers of selected atomic and ionic energy levels. The present program is similar in approach to the computer code by Mihalas, Heasley and Auer, but is completely independent. It differs from this code in many ways, such as the inclusion of an optional, ... Versions of this program held in the CPC repository in Mendeley Data ABFK_v1_0; TLUSTY; 10.1016/0010-4655(88)90177-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/9sdzfykhmh.1
title: DIP-moveout by Fourier transform

description: Abstract Seismic reflection survey is primarily designed to determine subsurface geological structures from the data recorded at the surface. Processing of seismic data undergoes several digital processing and beam forming steps, first to enhance the signal-to-noise ratio and then to construct the final digital image which is physically correct and geologically meaningful. Dip-moveout (prestack partial migration) is a processing step which corrects the dip filtering action of normal moveout (NMO) and ... Title of program: DMO Catalogue Id: ABHH_v1_0 Nature of problem A surface linear recording array (multichannel) receives seismic reflection signals in such a way that the CDP display misplaces the dipping reflectors. Dip moveout corrects spatial distortion in the 2-D datasets. Versions of this program held in the CPC repository in Mendeley Data ABHH_v1_0; DMO; 10.1016/0010-4655(89)90109-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/ftcgfmy386.1
title: Rotation of real spherical harmonics

description: Abstract In many physical problems, such as the calculation of interactions between multipoles, the rotation of spherical harmonics is necessary. In this paper, a computer program for the rotation of real spherical harmonics is reported. The program is designed for calculating sets of rotation matrices, for given Eulerian angles, and exploits some recurrence relations which make possible an important reduction of computational cost. Title of program: ROTAR Catalogue Id: ABHI_v1_0 Nature of problem Given a certain coordinate system and the Eulerian angles, the program provides the rotation matrices needed for transforming real normalized spherical harmonics defined in the first system to those of the second one. CORRECTION SUMMARY: Vol:Year:Page 62:1991:162 "000A CORRECTION 02/05/90" "Rotation of real spherical harmonics. (C.P.C. 52(1989)323)." J.R. Alvarez Collado; J. Fernandez Rico; R. Lopez; M. Paniagua; G. Ramirez Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ABHI_v1_0; ROTAR; 10.1016/0010-4655(89)90107-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/ddy58t53dz.1
title: An implementation of atomic form factors

description: Abstract A FORTRAN implementation of hydrogen-like discrete–discrete atomic form factors is presented. The definition of atomic form factors and their applicability to the calculation of atomic cross sections is briefly discussed. An explicit analytical expression for the discrete–discrete atomic form factors is presented exactly in the way they are implemented in the program. Finally, a description of the program itself and how to use it is given, together with some useful examples and their outputs.... Title of program: DIFOFA Catalogue Id: ADQY_v1_0 Nature of problem The scattering of an electron or a proton by a hydrogen-like atom or the collision of a hydrogen-like atom with a more complex atom are three body systems which can be solved perturbatively. The first order solution corresponds to a one photon exchange interaction and is known as the first Born approximation [1-3]. The sensibility of the hydrogen-like atom to a definite momentum of the exchanged photon is given by the Fourier transform of its charge density, known as the atomic form factory. The ... Versions of this program held in the CPC repository in Mendeley Data ADQY_v1_0; DIFOFA; 10.1016/S0010-4655(02)00687-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/f6bngnxcfn.1
title: A Monte Carlo generation method with importance sampling for high energy collisions of Hadrons

description: Title of program: GENIS Catalogue Id: AAUA_v1_0 Nature of problem In the theoretical analysis of hadron collisions at high energies the numerical evaluation of integrals over complete phase space is wasteful of computer time because experiment shows that only a small region of the integration domain is relevant for most physical purposes. This region is characterised by small values of the transverse momenta of the particles produced in the collision. Versions of this program held in the CPC repository in Mendeley Data AAUA_v1_0; GENIS; 10.1016/0010-4655(70)90016-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/hh5zjzjm5s.1
title: Computation of cross sections and polarizations for nuclear reactions, in which only spin 1 2 particles are involved

description: Title of program: S 1/2 PARTICLE CS AND POL Catalogue Id: ABGK_v1_0 Nature of problem Both for a phase shift analysis and for reaction calculations one needs to relate cross sections, polarization values etc. on the one hand and S-matrix elements in the usual lsJ representation on the other. For general cases this calculation requires great computational effort. For reactions in which only spin 1/2 particles are involved this effort can be considerably reduced, by the explicit calculation of the M-matrix. Versions of this program held in the CPC repository in Mendeley Data ABGK_v1_0; S 1/2 PARTICLE CS AND POL; 10.1016/0010-4655(72)90099-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/jhh8gr8b9m.1
title: R-matrix propagation program for solving coupled second-order differential equations

description: Title of program: RPROP Catalogue Id: AAJK_v1_0 Nature of problem Coupled second-order differential equations which arise in electron collision with atoms, ions and molecules are solved over a given range of the independent variable. The R-matrix at one end of the range is calculated given the R-matrix at the other end of the range. Versions of this program held in the CPC repository in Mendeley Data AAJK_v1_0; RPROP; 10.1016/0010-4655(82)90177-1 AAJK_v2_0; RPROP2; 10.1016/0010-4655(84)90025-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/k9v7wrgzpc.1
title: VANVLK: An algebraic manipulation program for canonical Van Vleck perturbation theory

description: Abstract Canonical Van Vleck perturbation theory is used to transform vibrational Hamiltonians to effective Hamiltonians, where the form of the effective Hamiltonian is better suited to the study of highly excited vibrational states of polyatomic molecules than that of the original representation. The key advantage is that the solution to the full problem is obtained in the new representation using significantly smaller basis sets than are needed to obtain the solutions in the original representation.... Title of program: VANVLK Catalogue Id: ABDQ_v1_0 Nature of problem VANVLK canonically transforms a Hamiltonian, expressed in normal form, to a new representation, where the solutions can be obtained using a significantly smaller basis set than is needed to obtain the solutions of the original representation. The information content is the same. This method allows considerable flexibilty in the choice of the final form of the Hamiltonian, and therefore alleviates the problems with divergences in perturbation expansions. The algebraic manipulation avoids the stor ... Versions of this program held in the CPC repository in Mendeley Data ABDQ_v1_0; VANVLK; 10.1016/0010-4655(88)90068-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/mfy8y2zsw5.1
title: Quasi-elastic X-ray scattering divergence analysis calculation

description: Abstract A FORTRAN 77 program is described that enables a numerical investigation to be made of the variation of instrumental resolution corrections with apparatus configuration for quasi-elastic X-ray scattering. The program is useful for scattering from phonons, defects, low angle Comptom processes and all instances where the energy change on scattering is at most a small fraction of the incident energy. Account can be taken of an irregular incident beam distribution (in angle and in space), a sampl... Title of program: DIANA88 Catalogue Id: ABJK_v1_0 Nature of problem The program addresses the problem that an inelastic (x-ray) scattering experiment necessarily records scattering smeared over a spatially spread inhomogeneous diverging incident beam, a sample mosaic spread and a finite area detector. Using measured or simulated apparatus characteristics and sample orientations, the program evalutes these effects on given theoretical intensities. Versions of this program held in the CPC repository in Mendeley Data ABJK_v1_0; DIANA88; 10.1016/0010-4655(89)90067-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/p4hvjk4wss.1
title: Phocha: A monte carlo program to calculate the characteristics of a beam of photons produced by annihilation and bremsstrahlung of relativistic positrons

description: Title of program: PHOCHA Catalogue Id: AAVN_v1_0 Nature of problem The program PHOCHA calculates the absolute energy spectra, the radial and vertical profiles and the angular distributions of annihilation and bremsstrahlung photons from intermediate energy positrons. The energy spread, the energy loss and the multiple scattering of the positrons in the annihilation target are taken into account. Moreover the positron emittance, the positron incidence angle and the finite angular acceptance of the photon collimation channel are explicitly considered. Versions of this program held in the CPC repository in Mendeley Data AAVN_v1_0; PHOCHA; 10.1016/0010-4655(83)90124-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/s3vf2vzdjg.1
title: Computation of Brody-Moshinsky brackets

description: Title of program: BRODY-MOSHINSKY BRACKETS Catalogue Id: ABGC_v1_0 Nature of problem The program computes the Brody-Moshinsky brackets defined in M. Moshinsky, Nucl. Phys. 13 (1959) 104 and appearing in the calculation of matrix elements of two-body operators, when the single particle radial wave functions are those of a harmonic oscillator. Such matrix elements are encountered in shell-model and Hartree-Fock calculations. Versions of this program held in the CPC repository in Mendeley Data ABGC_v1_0; BRODY-MOSHINSKY BRACKETS; 10.1016/0010-4655(71)90057-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/tb5f4dwtvf.1
title: FREESCO: Statistical event generator for nuclear collisions

description: Abstract Title of program: FREESCO Catalogue number: AALV Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computers: CDC-6600, -7600, VAX-750, -780, -8600, CRAY-1,… Programming language used: Fortran 77 High speed storage required: 71 680 bytes Number of bits per word: 32 Peripherals required: output device for error messages, mass storage device for nuclear data input and recording of generated events Number of lines in prog... Title of program: FREESCO Catalogue Id: AALV_v1_0 Nature of problem In nucleus-nucleus collisions above a few tens of MeV/N, a large number of multifragment channels are open and modern detector systems can detect nearly all the charged fragments produced. Therefore, large samples of complete events must be calculated. A well-defined, least biased reference model results from assuming that the disassembly occurs statistically. Versions of this program held in the CPC repository in Mendeley Data AALV_v1_0; FREESCO; 10.1016/0010-4655(86)90007-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/wrm22mhgmz.1
title: A Fortran system to maintain a program library 1. Storage of the program decks in magnetic tape files

description: Title of program: UPDATE Catalogue Id: AANE_v1_0 Nature of problem This program stores the CPC library of programs serially on magnetic tape files and maintains an index. The card images are contracted in a simple way. It takes as input cards or magnetic tape, in particluar a CPC subscriber tape and has the facility to edit existing files. ADAPTATION SUMMARY: Vol:Year:Page 38:1985:113 "0001 ADAPT FOR FREE FORMAT DATA" "A Fortran system to maintain a program library, adapt UPDATE to store decks containing free format data." C. Jackson Note: adaptation instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AANE_v1_0; UPDATE; 10.1016/0010-4655(81)90079-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/ynd65ctjty.1
title: DEPOS: Parametric electron energy deposition module in slabs

description: Title of program: DEPOS Catalogue Id: AADE_v1_0 Nature of problem DEPOS is a code module that computes the energy deposition of monoenergetic fast electrons normally incident on a one-dimensional slab absorber. Versions of this program held in the CPC repository in Mendeley Data AADE_v1_0; DEPOS; 10.1016/0010-4655(85)90106-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/27btxtwkg2.1
title: An exponential spline interpolation for unequally spaced data points

description: Title of program: LSPLIN Catalogue Id: AAOW_v1_0 Nature of problem Quite often it is necessary to interpolate discrete points given in an interval (x1,xn) to some intermediate point x*epsilon(x1,xn) in such a way that one avoids spurious oscillations. Versions of this program held in the CPC repository in Mendeley Data AAOW_v1_0; LSPLIN; 10.1016/0010-4655(82)90062-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/463jt5vcyt.1
title: GTOBAS: fitting continuum functions with Gaussian-type orbitals

description: Abstract GTOBAS is a program for fitting Gaussian-type orbitals (GTOs) to Bessel and Coulomb functions over a finite range. The exponents of the GTOs are optimized using the method of Nestmann and Peyerimhoff [J. Phys. B 23 (1990) L773]. The appended module NUMCBAS provides the numerical Bessel and Coulomb functions required as input for the program. The use of GTO continuum basis sets is particularly important in electron–molecule scattering calculations when polyatomic targets are involved. Sample r... Title of program: NUMCBAS Catalogue Id: ADPW_v1_0.tar Nature of problem Evaluation/calculation of Bessel and Coulomb functions. Provides input for GTOBAS (this paper). Versions of this program held in the CPC repository in Mendeley Data adpw_v1_0.tar; NUMCBAS; 10.1016/S0010-4655(02)00141-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/4ntw8gwd8f.1
title: Z-expansion of matrix elements of one-electron operators for many-electron atoms

description: Title of program: SSTR-TRANSITION GENERALIZED SUMS Catalogue Id: AACH_v1_0 Nature of problem Program SSTR (Substitution Sums for Transitions), computes the generalized single-particle substitution sums used in obtaining the coefficient of the second term in the Z-expansion of the matrix elements of one-electron operators in many-electron atoms. The calculations correspond in complexity to those needed for the contributions E'_2 in the second-order energy, but not to those needed for E''_2. The program is generalized to use one-electron operators corresponding to r^kk, for brevity referre ... Versions of this program held in the CPC repository in Mendeley Data AACH_v1_0; SSTR-TRANSITION GENERALIZED SUMS; 10.1016/0010-4655(79)90028-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/5ty7wmtpdy.1
title: A non-relativistic SCF atomic program to compute one-electron energies, total energies, and slater integrals

description: Title of program: HERSKLZARE Catalogue Id: AAKG_v1_0 Nature of problem The program HERSKLZARE performs non-spin-polarized nonrelativistic self-consistent field calculations for atoms and ions through use of an approximate exchange potential (a number of different approximations are available to the program). Having calculated central field radial wave functions and eigenvalues, the total energy, I, F, G integrals etc, can be calculated. CORRECTION SUMMARY: Vol:Year:Page 10:1976:434 "000A CORRECTION 5/09/75" "A non-relativistic SCF atomic program to compute one-electron energies, total energies and Slater integrals. (C.P.C. 7(1974)73)." J.H. Wood; M. Boring Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AAKG_v1_0; HERSKLZARE; 10.1016/0010-4655(74)90042-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/6fwmxmpncb.1
title: Rapid evaluation of four-body cluster contributions

description: Title of program: FOURBODY Catalogue Id: ABIA_v1_0 Nature of problem Within the framework of the cluster expansion formalism we present a method for rapidly evaluating the four-body contributions to the ground state energy of an extended system of bosons, specifically, alpha matter. Since the numerical results for alpha matter have been published elsewhere, we present here a fictitious example for which the exact results are obtainable. Versions of this program held in the CPC repository in Mendeley Data ABIA_v1_0; FOURBODY; 10.1016/0010-4655(71)90055-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/9zfd6t6tkx.1
title: Quantum rotor and its SU(3) realization

description: Abstract A simple FORTRAN program called ROTXSU3, which determines eigenvalues of the quantum rotor and the corresponding algebraic SU(3) model Hamiltonian, is introduced. General analytic expressions for matrix elements of the two Hamiltonians are given. These results are used to establish the equivalence of the SU(3) and rotor theories in the min(λ,μ) ≫ L limit, where λ and μ are SU(3) representation labels and L is the angular momentum. The results can also be used to study group expansion and defo... Title of program: ROTXSU3 Catalogue Id: ABFO_v1_0 Nature of problem Low-lying energy levels of well-deformed, even-even nuclei can be described by the rotational limit of the collective model and by the SU(3) shell model. The parameters of the rotor hamiltonian are the three principal moments of inertia. The corresponding SU(3) theory is obtained by taking the shell-model hamiltonian to be a linear combination of the operators L2, Xa3 and Xa4 which belong to the SU(3) -&gt; SO(3) integrity basis. The coefficients of these three rotational scalars are the parameters ... Versions of this program held in the CPC repository in Mendeley Data ABFO_v1_0; ROTXSU3; 10.1016/0010-4655(88)90174-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)