cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/46mb3wvpzk.1
title: QCDINS 2.0 – A Monte Carlo generator for instanton-induced processes in deep-inelastic scattering ☆

description: Abstract We describe a Monte Carlo event generator for the simulation of QCD-instanton induced processes in deep-inelastic scattering (HERA). The QCDINS package is designed as an “add-on” hard process generator interfaced to the general hadronic event simulation package HERWIG. It incorporates the theoretically predicted production rate for instanton-induced events as well as the essential characteristics that have been derived theoretically for the partonic final state of instanton-induced processes:... Title of program: QCDINS 2.0 Catalogue Id: ADMI_v1_0 Nature of problem Instantons are a basic aspect of Quantum Chromodynamics. Being non-perturbative fluctuations of the gauge fields, they induce hard processes absent in conventional perturbation theory. Deep-inelastic lepton-nucleon scattering at HERA offers a unique possible discovery window for such processes induced by QCD-instantons through their characteristic final-state signature and a sizable rate, calculable within instanton-perturbation theory. An experimental discovery of such a novel, non-perturbative ... Versions of this program held in the CPC repository in Mendeley Data ADMI_v1_0; QCDINS 2.0; 10.1016/S0010-4655(00)00148-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/4v5cwrxfh6.1
title: CANM, a program for numerical solution of a system of nonlinear equations using the continuous analog of Newton's method

description: Abstract A FORTRAN program is presented which solves a system of nonlinear simultaneous equations using the continuous analog of Newton's method (CANM). The user has the option of either to provide a subroutine which calculates the Jacobian matrix or allow the program to calculate it by a forward-difference approximation. Five iterative schemes using different algorithms of determining adaptive step size of the CANM process are implemented in the program. Title of program: CANM Catalogue Id: ADSN_v1_0 Nature of problem A system of nonlinear simultaneous equations F i (x 1 ,x 2 ,...,x n )=0, 1&lt;=i&lt;=n, is numerically solved. It can be written in vector form as F(X) = 0, X ∈ R n , where F:R n -&gt; R n is a twice continuously differentiable function with domain and range in n-dimensional Euclidean space. The solutions of such systems of equations are often the last step in the solution of practical problems arising in physics and engineering. The purpose of this paper is to present the iterative procedure for finding ... Versions of this program held in the CPC repository in Mendeley Data ADSN_v1_0; CANM; 10.1016/S0010-4655(03)00461-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/6gf739cwz9.1
title: GENXICC2.1: An improved version of GENXICC for hadronic production of doubly heavy baryons

description: Abstract We present an improved version of GENXICC, which is a generator for hadronic production of the doubly heavy baryons Ξ c c , Ξ b c and Ξ b b and has been introduce... Title of program: GENXICC2.1 Catalogue Id: ADZJ_v2_1 Nature of problem Hadronic production of doubly heavy baryons Ξcc, Ξbc and Ξbb. Versions of this program held in the CPC repository in Mendeley Data ADZJ_v1_0; GENXICC; 10.1016/j.cpc.2007.05.012 ADZJ_v2_0; GENXICC2.0; 10.1016/j.cpc.2010.02.008 ADZJ_v2_1; GENXICC2.1; 10.1016/j.cpc.2012.10.022 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/6pjfmcyfzn.1
title: A REDUCE program for the normalization of polynomial Hamiltonians

description: Abstract The program LINA01 is proposed for the direct and the inverse normalization of Hamiltonian systems and for the calculation of formal integrals of motion of them. The calculations required in LINA01 are made on the basis of Lie canonical transformation method. The program package of LINA01 is written on REDUCE. Title of program: LINA01 Catalogue Id: ADUV_v1_0 Nature of problem The transformation bringing a given Hamiltonian function into the normal form (namely, the normalization) is one of the conventional methods for non-linear Hamiltonian systems [1-6]. Recently, beyond classical mechanics, the normal form method has been applied to quantization of chaotic Hamiltonian systems with the aim of finding quantum signature of chaos [7]. Besides those utilities, the normalization requires quite cumbersome algebraic calculations of polynomials, so that the computer algebra ... Versions of this program held in the CPC repository in Mendeley Data ADUV_v1_0; LINA01; 10.1016/j.cpc.2004.10.010 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/7nz28t26p5.1
title: Coulomb wave functions in momentum space

description: Abstract An algorithm to calculate non-relativistic partial-wave Coulomb functions in momentum space is presented. The arguments are the Sommerfeld parameter η, the angular momentum l, the asymptotic momentum q and the 'running' momentum p, where both momenta are real. Since the partial-wave Coulomb functions exhibit singular behavior when p→q, different representations of the Legendre functions of the 2nd kind need to be implemented in computing the functions for the values of p close to the singular... Title of program: libcwfn Catalogue Id: AEUQ_v1_0 Nature of problem The calculation of partial wave Coulomb functions with integer l and all other arguments real. Versions of this program held in the CPC repository in Mendeley Data AEUQ_v1_0; libcwfn; 10.1016/j.cpc.2014.10.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/8c7vydy9s2.1
title: The Monte Carlo code decay to simulate the decay of baryon and meson resonances

description: Title of program: DECAY Catalogue Id: ACFS_v1_0 Nature of problem In high energy particle collisions secondary particles will be created, among which are also unstable hadron resonances. ... CORRECTION SUMMARY: Vol:Year:Page 0:unpublished:unpublished "000ACORRECTION 03/07/87" "Unpublished correction to the Monte Carlo code DECAY to simulate the decay of baryon and meson resonances." K. Hanssgen; S. Ritter Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACFS_v1_0; DECAY; 10.1016/0010-4655(84)90024-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/8tfxjkfwh4.1
title: Algebraic tools for dealing with the atomic shell model. I. Wavefunctions and integrals for hydrogen-like ions

description: Abstract Today, the ‘hydrogen atom model’ is known to play its role not only in teaching the basic elements of quantum mechanics but also for building up effective theories in atomic and molecular physics, quantum optics, plasma physics, or even in the design of semiconductor devices. Therefore, the analytical as well as numerical solutions of the hydrogen-like ions are frequently required both, for analyzing experimental data and for carrying out quite advanced theoretical studies. In order to suppor... Title of program: DIRAC Catalogue Id: ADUQ_v1_0 Nature of problem Analytical solutions of the hydrogen atom are widely used in very different fields of physics [2,3]. Despite the rather simple structure of the hydrogen-like ions, however, the underlying 'mathematics' is not always that easy to deal with. Apart from the well-known level structure of these ions as obtained from either the Schrodinger or Dirac equation, namely, a great deal of other properties are often needed. These properties are related to the interaction of bound electron(s) with external par ... Versions of this program held in the CPC repository in Mendeley Data ADUQ_v1_0; DIRAC; 10.1016/j.cpc.2004.09.004 ADUQ_v2_0; DIRAC; 10.1016/j.cpc.2009.11.010 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/b2ks7tfpbs.1
title: Automatic computation of the travelling wave solutions to nonlinear PDEs

description: Abstract Various extensions of the tanh-function method and their implementations for finding explicit travelling wave solutions to nonlinear partial differential equations (PDEs) have been reported in the literature. However, some solutions are often missed by these packages. In this paper, a new algorithm and its implementation called TWS for solving single nonlinear PDEs are presented. TWS is implemented in Maple 10. It turns out that, for PDEs whose balancing numbers are not positive integers, TWS... Title of program: TWS Catalogue Id: AEAM_v1_0 Nature of problem Finding the travelling wave solutions to single nonlinear PDEs Versions of this program held in the CPC repository in Mendeley Data AEAM_v1_0; TWS; 10.1016/j.cpc.2007.12.004 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/dnbbmdy755.1
title: NMSSMCALC: A program package for the calculation of loop-corrected Higgs boson masses and decay widths in the (complex) NMSSM

description: Abstract We present the program package NMSSMCALC for the calculation of the loop-corrected NMSSM Higgs boson masses and decay widths in the CP-conserving and CP-violating NMSSM. The full one-loop corrections to the Higgs boson masses are evaluated in a mixed renormalisation scheme of on-shell and DR ¯ conditions. The Higgs decay widths include the dominant higher order QCD corrections, and the decays into bottom quarks, strange quarks and τ leptons are supplemented by higher order SUSY correcti... Title of program: NMSSMCALC Catalogue Id: AEUE_v1_0 Nature of problem Computation of the NMSSM Higgs mass spectrum including higher order corrections in a mixed renormalisation scheme of on-shell and DRbar conditions, and numerical calculation of the decay widths and branching ratios, both in the CP-conserving and in the CP-violating NMSSM. The decay widths include the dominant higher order QCD corrections and, for the neutral Higgs boson decays into a bottom quark pair, the higher order SUSY-QCD and the approximate SUSY-electroweak (elw) corrections up to one-loo ... Versions of this program held in the CPC repository in Mendeley Data AEUE_v1_0; NMSSMCALC; 10.1016/j.cpc.2014.08.005 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/hvjsgx8gb4.1
title: A cascadic monotonic time-discretized algorithm for finite-level quantum control computation

description: Abstract A computer package (CNMS) is presented aimed at the solution of finite-level quantum optimal control problems. This package is based on a recently developed computational strategy known as monotonic schemes. Quantum optimal control problems arise in particular in quantum optics where the optimization of a control representing laser pulses is required. The purpose of the external control field is to channel the system's wavefunction between given states in its most efficient way. Physically m... Title of program: CNMS Catalogue Id: AEAB_v1_0 Nature of problem Quantum control Versions of this program held in the CPC repository in Mendeley Data AEAB_v1_0; CNMS; 10.1016/j.cpc.2007.09.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/kcxz5xs6rs.1
title: New vibration–rotation code for tetraatomic molecules exhibiting wide-amplitude motion: WAVR4

description: Abstract A general computational method for the accurate calculation of rotationally and vibrationally excited states of tetraatomic molecules is developed. The resulting program is particularly appropriate for molecules executing wide-amplitude motions and isomerizations. The program offers a choice of coordinate systems based on Radau, Jacobi, diatom–diatom and orthogonal satellite vectors. The method includes all six vibrational dimensions plus three rotational dimensions. Vibration–rotation calcul... Title of program: WAVR4 Catalogue Id: ADUN_v1_0 Nature of problem WAVR4 calculates the bound ro-vibrational levels and wavefunctions of a tetraatomic system using body-fixed coordinates based on generalised orthogonal vectors. Versions of this program held in the CPC repository in Mendeley Data ADUN_v1_0; WAVR4; 10.1016/j.cpc.2004.07.005 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/rbwtvm7mbb.1
title: A fitting program for potential energy surfaces of bent triatomic molecules

description: Abstract A program has been developed in order to fit analytical power series expansions (Dunham, Simon-Parr-Finlan, Ogilvie and their exponential variants) and Padé approximants to discrete ab initio potential energy surfaces of non-linear triatomic molecules. The program employs standard least-squares fitting techniques using the singular decomposition method in order to dampen the higher-order coefficients (if deemed necessary) without significantly degrading the fit. The program makes full use of ... Title of program: Fit-PowPad Catalogue Id: ACBU_v1_0 Nature of problem Electronic ab initio calculations can yield discrete potential energy surfaces for triatomic molecules. In order to solve the nuclear Schrodinger equation and so obtain information on the molecular dynamics of these molecules it is necessary to develop an analytical represent- ation of the discrete surface. We therefore present a Fortran program for least squares fitting of discrete electronic points to power series expansions (Dunham, Simon-Parr-Finlan, Ogilvie and expotential variants) as well ... Versions of this program held in the CPC repository in Mendeley Data ACBU_v1_0; Fit-PowPad; 10.1016/0010-4655(92)90057-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/stxc75v54w.1
title: KANTBP 2.0: New version of a program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach

description: Abstract A FORTRAN 77 program for calculating energy values, reaction matrix and corresponding radial wave functions in a coupled-channel approximation of the hyperspherical adiabatic approach is presented. In this approach, a multi-dimensional Schrödinger equation is reduced to a system of the coupled second-order ordinary differential equations on a finite interval with homogeneous boundary conditions: (i) the Dirichlet, Neumann and third type at the left and right boundary points for continuous spe... Title of program: KANTBP Catalogue Id: ADZH_v2_0 Nature of problem In the hyperspherical adiabatic approach [3 5], a multidimensional Schrödinger equation for a two-electron system [6] or a hydrogen atom in magnetic field [7 9] is reduced by separating radial coordinate ρ from the angular variables to a system of the second-order ordinary differential equations containing the potential matrix elements and first-derivative coupling terms. The purpose of this paper is to present the finite element method procedure based on the use of high-order accuracy approxima ... Versions of this program held in the CPC repository in Mendeley Data ADZH_v1_0; KANTBP; 10.1016/j.cpc.2007.05.016 ADZH_v2_0; KANTBP; 10.1016/j.cpc.2008.06.005 ADZH_v3_0; KANTBP; 10.1016/j.cpc.2014.08.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/t6xsgx957b.1
title: An atomic program for energy levels of equivalent electrons: lanthanides and actinides

description: Abstract A program written in C is presented to carry out brute force calculations in order to derive energy levels for an equivalent electronic configuration. Relativistic effects are partly neglected except for the spin-orbit interaction. Since the main relativistic effects are indirect, i.e. causing a contraction of the core which in turn causes the outer shells to expand, they are included to a high degree through the use of appropriate Slater integrals. The program is especially useful for primar... Title of program: Lanthanide Catalogue Id: ADMZ_v1_0 Nature of problem Diagonalizations of various one-, two- and three-particle operators that result in energy eigenvalues and their eigenfunctions. The various operator parameters have to be calculated ab initio or taken from experiment; these are used as input to the program. The approach is non-relativistic (it is empirically known that the main relativistic and correlation effects can be absorbed in the input parameters) making the program mainly useful for systems such as studies of energy structure of open val ... Versions of this program held in the CPC repository in Mendeley Data ADMZ_v1_0; Lanthanide; 10.1016/S0010-4655(00)00171-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/t7w5p2vdbg.1
title: 2D-CELL: image processing software for extraction and analysis of 2-dimensional cellular structures

description: Abstract 2D-CELL is a software package for the processing and analyzing of photographic images of cellular structures in a largely interactive way. Starting from a binary digitized image, the programs extract the line network (skeleton) of the structure and determine the graph representation that best models it. Provision is made for manually correcting defects such as incorrect node positions or dangling bonds. Then a suitable algorithm retrieves polygonal contours which define individual cells — loc... Title of program: 2D-CELL Catalogue Id: ACBS_v1_0 Nature of problem 2D-CELL is a software package for the processing and analyzing of photographic images of cellular structures in a largely interactive way. Starting from a binary digitalized image, the programs extract the line network (skeleton) of the structure and determined the graph representation that best models it. Provision is made for manually correcting defects such as incorrect node positions or dangling bonds. Then a suitable algorithm retrieves polygonal contours which define individual cells - loc ... Versions of this program held in the CPC repository in Mendeley Data ACBS_v1_0; 2D-CELL; 10.1016/0010-4655(92)90056-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/xfcpscjnmk.1
title: CHPACK: A package for the manipulation of Chebyshev approximations

description: Title of program: CHPACK Catalogue Id: ACER_v1_0 Nature of problem In several physical problems a function is required at many points. If its computation is time consuming it can be better to replace it with a suitable approximation. Versions of this program held in the CPC repository in Mendeley Data ACER_v1_0; CHPACK; 10.1016/0010-4655(83)90015-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/yysswv4rbc.1
title: A Fortran program to calculate the matrix elements of the Coulomb interaction involving hydrogenic wave functions ☆

description: Abstract The presented program calculates the matrix elements of the Coulomb interaction between a charged particle and an atomic electron, ∫ψ_f *(r)|R-r|^(-1)ψ_i (r)dr. Bound-free transitions are considered, and non-relativistic hydrogenic wave functions are used. The program consists of subroutines that compute matrix elements between eigenstates of both the total angular momentum j, and the orbital angular momentum l. As further output quantities, the radial components of the multipole series exp... Title of program: MTRXCOUL Catalogue Id: ADMW_v1_0 Nature of problem The theoretical description of the excitation and ionization of atoms by charged particle impact often requires the knowledge of the matrix elements of the Coulomb interaction. The program MTRXCOUL calculates the matrix elements between bound and free states represented by non-relativistic hydrogenic wave functions. Versions of this program held in the CPC repository in Mendeley Data ADMW_v1_0; MTRXCOUL; 10.1016/S0010-4655(00)00160-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/3g52xh7x9k.1
title: Relativistic wave and Green's functions for hydrogen-like ions

description: Abstract The GREENS library is presented which provides a set of C++ procedures for the computation of the (radial) Coulomb wave and Green's functions. Both, the nonrelativistic as well as relativistic representations of these functions are supported by the library. However, while the wave functions are implemented for all, the bound and free-electron states, the Green's functions are provided only for bound-state energies (E &lt; 0). Apart from the Coulomb functions, moreover, the implementation of seve... Title of program: GREENS Catalogue Id: ADRJ_v1_0 Nature of problem In order to describe and understand the behaviour of hydrogen-like ions, one often needs the Coulomb wave and Green's functions for the evaluation of matrix elements. But although these functions have been known analytically for a long time and within different representations [1,2], not so many implementations exist and allow for a simple access to these functions. In practice, moreover, the application of the Coulomb functions is sometimes hampered due to numerical instabilities. Versions of this program held in the CPC repository in Mendeley Data ADRJ_v1_0; GREENS; 10.1016/S0010-4655(02)00798-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/57tnc6sby7.1
title: Generalized Fermi–Dirac functions and derivatives: properties and evaluation

description: Abstract The generalized Fermi–Dirac functions and their derivatives are important in evaluating the thermodynamic quantities of partially degenerate electrons in hot dense stellar plasmas. New recursion relations of the generalized Fermi–Dirac functions have been found. An effective numerical method to evaluate the derivatives of the generalized Fermi–Dirac functions up to third order with respect to both degeneracy and temperature is then proposed, following Aparicio [Ap.J.S.S. 117 (1998) 627]. A Fo... Title of program: GFD_D3 Catalogue Id: ADNX_v1_0 Nature of problem Provide numerical method to evaluate generalized Fermi-Dirac functions and their derivatives with respect to eta and beta up to third order. The results are important for a highly accurate calculation of thermodynamic quantities of an electron gas with partial degeneracy and relatively high temperatures with very high order of accuracy. Versions of this program held in the CPC repository in Mendeley Data ADNX_v1_0; GFD_D3; 10.1016/S0010-4655(01)00145-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/78w325yh59.1
title: Maxwell: Exact photon cross-section processor for relativistic Maxwellian electrons

description: Title of program: MAXWEL Catalogue Id: ACCF_v1_0 Nature of problem A four dimensional, nested numerical integration of the Compton cross section folded over a relativistic Maxwellian electron background is treated by adaptive quadrature techniques. Various forms in the low energy, high and low temperature limits are recovered. Computed cross sections are of interest for discrete ordinates and Monte Carlo radiation transport applications in many areas of physics and engineering. Versions of this program held in the CPC repository in Mendeley Data ACCF_v1_0; MAXWEL; 10.1016/0010-4655(84)90093-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)