cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/cv4jbb2ds6.1
title: Computer program TRACK_TEST for calculating parameters and plotting profiles for etch pits in nuclear track materials

description: Abstract A computer program called TRACK_TEST for calculating parameters (lengths of the major and minor axes) and plotting profiles in nuclear track materials resulted from light-ion irradiation and subsequent chemical etching is described. The programming steps are outlined, including calculations of alpha-particle ranges, determination of the distance along the particle trajectory penetrated by the chemical etchant, calculations of track coordinates, determination of the lengths of the major and mi... Title of program: Track_Test Catalogue Id: ADWT_v1_0 Nature of problem Fast heavy charged particles (like alpha particles and other light ions etc.) create latent tracks in some dielectric materials. After chemical etching in aqueous NaOH or KOH solutions, these tracks become visible under an optical microscope. The growth of a track is based on the simultaneous actions of the etchant on undamaged regions (with the bulk etch rate V b ) and along the particle track (with the track etch rate V t ). Growth of the track is described satisfactorily by these two paramete ... Versions of this program held in the CPC repository in Mendeley Data ADWT_v1_0; Track_Test; 10.1016/j.cpc.2005.09.011 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/gdvr4fg8k6.1
title: Classification of integrable super-systems using the SsTools environment

description: Abstract A classification problem is proposed for supersymmetric evolutionary PDE that satisfy the assumptions of nonlinearity, nondegeneracy, and homogeneity. Four classes of nonlinear coupled boson-fermion systems are discovered under the weighting assumption | f | = | b | = | D_t| = frac(1, 2). The syntax of the Reduce package SsTools, which was used for intermediate computations, and the applicability of its procedures to the calculus of super-PDE are described. Title of program: SsTools Catalogue Id: ADYY_v1_0 Nature of problem The program allows the classification of N &gt;= 1 supersymmetric nonlinear scaling-invariant evolution equations {f t = φ f , b t = φ b } that admit infinitely many local symmetries propagated by recursion operators; here b(x, t; θ) is the set of bosonic super-fields and f(x; t; θ) are fermionic super-fields. Versions of this program held in the CPC repository in Mendeley Data ADYY_v1_0; SsTools; 10.1016/j.cpc.2007.02.113 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/hh4ym65vtv.1
title: RHEED intensities from two-dimensional heteroepitaxial nanoscale systems

description: Abstract A practical computing algorithm has been developed for calculating the reflection high-energy electron diffraction (RHEED) from the molecular beam epitaxy growing surface. The calculations are based on the use of the dynamical diffraction theory in which the electrons are taken to be diffracted by a potential, which is periodic in the dimension perpendicular to the surface. The computer program presented in this paper enables calculations for three basic types of diffuse potential for crystal... Title of program: RHEED_DIFF Catalogue Id: AETW_v1_0 Nature of problem RHEED rocking curves (the specular beam intensities versus the glancing angle) recorded from heteroepitaxial layers are used for the non-destructive evaluation of epilayer thickness and composition with a high degree of accuracy. Rocking curves from such heterostructures are often very complex because the thickness fringes from every layer beat together. Simulations based on the dynamical diffraction theory are generally used to interpret the rocking curves of such structures from which very sma ... Versions of this program held in the CPC repository in Mendeley Data AETW_v1_0; RHEED_DIFF; 10.1016/j.cpc.2014.07.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/khccyzcwdz.1
title: GLoBES: General Long Baseline Experiment Simulator

description: Abstract GLoBES (General Long Baseline Experiment Simulator) is a flexible software package to simulate neutrino oscillation long baseline and reactor experiments. On the one hand, it contains a comprehensive abstract experiment definition language (AEDL), which allows to describe most classes of long baseline experiments at an abstract level. On the other hand, it provides a C-library to process the experiment information in order to obtain oscillation probabilities, rate vectors, and Δ χ^2 -values. ... Title of program: GLoBES version 3.0.8 Catalogue Id: ADZI_v1_0 Nature of problem Neutrino oscillations are now established as the leading flavor transition mechanism for neutrinos. In a long history of many experiments, see, e.g., [1], two oscillation frequencies have been identified: The fast atmospheric and the slow solar oscillations, which are driven by the respective mass squared differences. In addition, there could be interference effects between these two oscillations, provided that the coupling given by the small mixing angle θ 13 is large enough. Such interference ... Versions of this program held in the CPC repository in Mendeley Data ADZI_v1_0; GLoBES version 3.0.8; 10.1016/j.cpc.2007.05.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/mg8wbybvxn.1
title: PyR@TE Renormalization group equations for general gauge theories

description: Abstract Although the two-loop renormalization group equations for a general gauge field theory have been known for quite some time, deriving them for specific models has often been difficult in practice. This is mainly due to the fact that, albeit straightforward, the involved calculations are quite long, tedious and prone to error. The present work is an attempt to facilitate the practical use of the renormalization group equations in model building. To that end, we have developed two completely ind... Title of program: PyR@TE Catalogue Id: AERV_v1_0 Nature of problem Deriving the renormalization group equations for a general quantum field theory. Versions of this program held in the CPC repository in Mendeley Data AERV_v1_0; PyR@TE; 10.1016/j.cpc.2013.12.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/s9ggfvr752.1
title: A fast algorithm for voxel-based deterministic simulation of X-ray imaging

description: Abstract Deterministic method based on ray tracing technique is known as a powerful alternative to the Monte Carlo approach for virtual X-ray imaging. The algorithm speed is a critical issue in the perspective of simulating hundreds of images, notably to simulate tomographic acquisition or even more, to simulate X-ray radiographic video recordings. We present an algorithm for voxel-based deterministic simulation of X-ray imaging using voxel-driven forward and backward perspective projection operations... Title of program: X-ray Catalogue Id: AEAD_v1_0 Nature of problem Radiographic simulation of voxelized objects based on ray tracing technique. Versions of this program held in the CPC repository in Mendeley Data AEAD_v1_0; X-ray; 10.1016/j.cpc.2007.11.008 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/ychyv75bgs.1
title: Solution of few-body problems with the stochastic variational method I. Central forces with zero orbital momentum

description: Abstract This paper presents a Fortran program to solve diverse few-body problems with the stochastic variational method. Depending on the available computational resources the program is applicable for N = 2-3-4-5-6-⋯ -body systems with L = 0 total orbital momentum. The solution with the stochastic variational method is "automatic" and universal. One defines the system (number of particles, masses, symmetry, interaction, etc.) and the program finds the ground state energy and wave function. The examp... Title of program: FBS Catalogue Id: ADGF_v1_0 Nature of problem This computer code solves N = 2 - 3 - 4 - 5 - 6 -..-body problems. The number of particles, symmetry, interaction, etc. are input data and the program can solve various few-body problems. The examples include nuclear (alpha particle: four-body, 6He: six-body), atomic (tdmu- and e+e-e+e-) and subnuclear (the nucleon and the delta in a nonrelativistic quark model) systems. The solutions are accurate for excited states as well, and even the Efimov-states can be studied. Versions of this program held in the CPC repository in Mendeley Data ADGF_v1_0; FBS; 10.1016/S0010-4655(97)00059-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/ygrmgzfg8s.1
title: GPELab, a Matlab toolbox to solve Gross–Pitaevskii equations II: Dynamics and stochastic simulations

description: Abstract GPELab is a free Matlab toolbox for modeling and numerically solving large classes of systems of Gross–Pitaevskii equations that arise in the physics of Bose–Einstein condensates. The aim of this second paper, which follows (Antoine and Duboscq, 2014), is to first present the various pseudospectral schemes available in GPELab for computing the deterministic and stochastic nonlinear dynamics of Gross–Pitaevskii equations (Antoine, et al., 2013). Next, the corresponding GPELab functions are exp... Title of program: GPELab Catalogue Id: AETU_v2_0 Nature of problem Simulation of dynamical solutions for a class of systems (multi-components) of time-dependent Gross-Pitaevskii equations in 1d, 2d and 3d. This program is particularly well designed for the simulation of the dynamics of Bose-Einstein condensates as well as the computation of ground states. Versions of this program held in the CPC repository in Mendeley Data AETU_v1_0; GPELab; 10.1016/j.cpc.2014.06.026 AETU_v2_0; GPELab; 10.1016/j.cpc.2015.03.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/4sm7nhbx37.1
title: CI-MBPT: A package of programs for relativistic atomic calculations based on a method combining configuration interaction and many-body perturbation theory

description: Abstract This package of programs allows us to carry out relativistic calculations for many-electron atoms and ions. One can find energy levels and a number of atomic properties: g -factors, magnetic-dipole and electric-quadrupole hyperfine structure constants, electric- and magnetic-multipole transition amplitudes, and matrix elements of the parity nonconserving interactions. Method of calculation is based on a combination of conventional configuration interaction (CI) method and many-body perturbati... Title of program: CI-MBPT Catalogue Id: AEWV_v1_0 Nature of problem Prediction of atomic or ionic energy levels and different observables in the framework of relativistic approach. Versions of this program held in the CPC repository in Mendeley Data AEWV_v1_0; CI-MBPT; 10.1016/j.cpc.2015.05.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/6w57kg4tt2.1
title: OptQC: An optimized parallel quantum compiler

description: Abstract The software package Qcompiler (Chen and Wang 2013) provides a general quantum compilation framework, which maps any given unitary operation into a quantum circuit consisting of a sequential set of elementary quantum gates. In this paper, we present an extended software OptQC, which finds permutation matrices P and Q for a given unitary matrix U such that the number of gates in the quantum circuit of U = Q^TP^T U'PQ is significantly reduced, where U? is equivalent to U up to a permutation a... Title of program: <i>OptQC</i> Catalogue Id: AEUA_v1_0 Nature of problem It aims to minimise the number of quantum gates required to implement a given unitary operation. Versions of this program held in the CPC repository in Mendeley Data AEUA_v1_0; <i>OptQC</i>; 10.1016/j.cpc.2014.07.022 AEUA_v1_3; OptQC v1.3; 10.1016/j.cpc.2016.05.028 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/bs3vnd3w8d.1
title: The STATFLUX code: a statistical method for calculation of flow and set of parameters, based on the Multiple-Compartment Biokinetical Model

description: Abstract The code STATFLUX, implementing a new and simple statistical procedure for the calculation of transfer coefficients in radionuclide transport to animals and plants, is proposed. The method is based on the general multiple-compartment model, which uses a system of linear equations involving geometrical volume considerations. Flow parameters were estimated by employing two different least-squares procedures: Derivative and Gauss–Marquardt methods, with the available experimental data of radionu... Title of program: STATFLUX Catalogue Id: ADYS_v1_0 Nature of problem The investigation of transport mechanisms for radioactive substances, through environmental pathways, is very important for radiological protection of populations. One such pathway, associated with the food chain, is the grass animal man sequence. The distribution of trace elements in humans and laboratory animals has been intensively studied over the past 60 years [1]. In addition, investigations on the incidence of cancer in humans, and a possible causal relationship to radioactive fallout, ha ... Versions of this program held in the CPC repository in Mendeley Data ADYS_v1_0; STATFLUX; 10.1016/j.cpc.2006.10.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/f2554kzpyw.1
title: An oscillation suppressing semi-Lagrangian solver for advection equation

description: Abstract This work presents a Fortran code to solve the advection equation in 1, 2 and 3 dimensions. The scheme is based on a rational interpolation function. Not only the interpolation profile itself but also its first-order spatial derivatives are predicted by the governing equation. Using the Lagrangian invariant solution of the advection to evaluate the gradients makes the method compact. The scheme is indeed constructed over only one mesh cell. The method has third-order accuracy in the smooth re... Title of program: RCIP Catalogue Id: ADIU_v1_0 Nature of problem As a kind of first order hyperbolic partial differential equations, advection equation describes a wide spectrum of phenomena from physical problems such as material transport, heat transfer and wave propagation. The code has been developed to solve the advection equation in 1, 2 and 3 dimensions with a Eulerian computational grid. Versions of this program held in the CPC repository in Mendeley Data ADIU_v1_0; RCIP; 10.1016/S0010-4655(98)00094-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/gk4975p2s4.1
title: PROCRUSTES: A computer algebra package for post-Newtonian calculations in General Relativity

description: Abstract We report on a package of routines for the computer algebra system Maple which supports the explicit determination of the geometric quantities, field equations, equations of motion, and conserved quantities of General Relativity in the post-Newtonian approximation. The package structure is modular and allows for an easy modification by the user. The set of routines can be used to verify hand calculations or to generate the input for further numerical investigations. Title of program: Procrustes Catalogue Id: ADYH_v1_0 Nature of problem The post-Newtonian approximation represents an approximative scheme frequently used in General Relativity in which the gravitational potential is expanded into a series in inverse powers of the speed of light. Depending on the desired approximation level the field equations and equations of motion have to be determined up to given orders in the speed of light. This usually requires large algebraic computations due to the geometrical quantities entering the field equations and equations of motion ... Versions of this program held in the CPC repository in Mendeley Data ADYH_v1_0; Procrustes; 10.1016/j.cpc.2006.07.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/hfg3bw2n5g.1
title: HAWK 2.0: A Monte Carlo program for Higgs production in vector-boson fusion and Higgs strahlung at hadron colliders

description: Abstract The Monte Carlo integrator HAWK provides precision predictions for Higgs production at hadron colliders in vector-boson fusion and Higgs strahlung, i.e. in production processes where the Higgs boson is Attached to WeaK bosons. The fully differential predictions include the full QCD and electroweak next-to-leading-order corrections. Results are computed as integrated cross sections and as binned distributions for important hadron-collider observables. Title of program: HAWK, version 2.0 Catalogue Id: AEWT_v1_0 Nature of problem Precision calculation of cross sections and differential distributions for Higgs-boson production in vector-boson fusion and Higgs strahlung at the LHC as described in Refs. [1-3]. Versions of this program held in the CPC repository in Mendeley Data AEWT_v1_0; HAWK, version 2.0; 10.1016/j.cpc.2015.04.021 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/jwnzkzvtby.1
title: A general program for computing angular integrals of the non-relativistic Hamiltonian with non-orthogonal orbitals

description: Abstract The MCHF NONH program performs the angular integrations necessary for expressing the matrix elements of the non-relativistic Hamiltonian as linear combinations of Slater integrals and kinetic integrals. All matrix elements for a given list of configuration states may be evaluated or certain subsets. A limited amount of non-orthogonality between the orbitals may be present leading to overlap integrals in the expressions for the matrix elements. Title of program: MCHF_NONH Catalogue Id: ABZW_v1_0 Nature of problem In configuration interaction calculations as well as variational calculations such as MCHF, the wave function is expanded in terms of a number of configuration state functions. To determine the coefficients in the expansion or the radial functions, as in MCHF, the interaction matrix needs to be expressed in terms of sums of radial integrals. In the presence of non-orthogonal orbitals, the integrals are L- integrals and Slater integrals, possibly multiplied by overlap integrals. The program calcu ... Versions of this program held in the CPC repository in Mendeley Data ABZW_v1_0; MCHF_NONH; 10.1016/0010-4655(91)90136-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/ntcf8pvxf6.1
title: Maple procedures for the coupling of angular momenta. III. Standard quantities for evaluating many-particle matrix elements

description: Abstract An extension to the Racah program is presented for calculating standard quantities in the decomposition of many-electron matrix elements in atomic structure theory. These quantities include the coefficients of fractional parentage, the reduced coefficients of fractional parentage as well as reduced and completely reduced matrix elements for several operators within the two most frequently applied coupling schemes, namely LS- and jj-coupling, respectively. Values for these quantities are avail... Title of program: RACAH Catalogue Id: ADFV_v3_0 [ADNM] Nature of problem In atomic and nuclear structure theory, the evaluation and spin-angular integration of many-particle matrix elements is typically based on standard quantities like the matrix elements of the unit tensor, the (reduced) coefficients of fractional parentage as well as a number of other reduced matrix elements concerning various products of creation and annihilation operators. These quantities arise very frequently both in configuration interaction approaches and the derivation of perturbation expan ... Versions of this program held in the CPC repository in Mendeley Data ADFV_v1_0; Racah; 10.1016/S0010-4655(97)00032-5 ADFV_v2_0; Racah; 10.1016/S0010-4655(98)00021-6 ADFV_v3_0; RACAH; 10.1016/S0010-4655(00)00234-4 ADFV_v4_0; RACAH; 10.1016/S0010-4655(01)00218-1 ADFV_v5_0; RACAH; 10.1016/S0010-4655(01)00219-3 ADFV_v6_0; RACAH; 10.1016/S0010-4655(02)00591-X ADFV_v7_0; RACAH; 10.1016/S0010-4655(03)00227-3 ADFV_v8_0; RACAH; 10.1016/j.cpc.2004.11.003 ADFV_v9_0; RACAH; 10.1016/j.cpc.2005.12.008 ADFV_v10_0; RACAH; 10.1016/j.cpc.2009.06.018 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/sf48ssgtdz.1
title: Maple procedures for the coupling of angular momenta. IX. Wigner D-functions and rotation matrices

description: Abstract The Wigner D-functions, D p q j ( α , β , γ ) , are known for their frequent use in quantum mechanics. Defined as the matrix elements of the rotation operator R ˆ ( α , β , γ ) in R 3 and parametrized in terms of the three Euler angles α, β, and γ, these functions arise not only in the transformation of tensor components under the rotation of the coordinates, but also as the eigenfunctions of the spherical top. In practice, however, the use of the Wigner D-functions is not always that simple,... Title of program: RACAH Catalogue Id: ADFV_v9_0 Nature of problem The Wigner D-functions and (reduced) rotation matrices occur very frequently in physical applications. They are known not only as the (infinite) representation of the rotation group but also to obey a number of integral and summation rules, including those for their orthogonality and completeness. Instead of the direct computation of these matrices, therefore, one first often wishes to find algebraic simplifications before the computations can be carried out in practice. Versions of this program held in the CPC repository in Mendeley Data ADFV_v1_0; Racah; 10.1016/S0010-4655(97)00032-5 ADFV_v2_0; Racah; 10.1016/S0010-4655(98)00021-6 ADFV_v3_0; RACAH; 10.1016/S0010-4655(00)00234-4 ADFV_v4_0; RACAH; 10.1016/S0010-4655(01)00218-1 ADFV_v5_0; RACAH; 10.1016/S0010-4655(01)00219-3 ADFV_v6_0; RACAH; 10.1016/S0010-4655(02)00591-X ADFV_v7_0; RACAH; 10.1016/S0010-4655(03)00227-3 ADFV_v8_0; RACAH; 10.1016/j.cpc.2004.11.003 ADFV_v9_0; RACAH; 10.1016/j.cpc.2005.12.008 ADFV_v10_0; RACAH; 10.1016/j.cpc.2009.06.018 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/stdn3484km.1
title: The Monte Carlo program KORALZ, version 3.8, for the lepton or quark pair production at LEP/SLC energies

description: Abstract The Monte Carlo program for τ pair production and decay applicable to the experiments in e+ e− colliders in the Z resonance energy range is presented. The program includes initial-state bremsstrahlung corrections up to (α2) (with exclusive exponentiation), final-state (α) bremsstrahlung and (α) electroweak corrections. The following τ decay modes can be generated: including leading logarithmic radiative corrections in decays. The program can be also used for the generation of the final states... Title of program: KORALZ, version: 3.8 Catalogue Id: ACBK_v1_0 Nature of problem "Spin polarization of tau in the process e+e- -&gt; tau+tau-(gamma), tau+- -&gt; X+- will be used as an important data point for precise tests of the standard electroweak theory. ... CORRECTION SUMMARY: Vol:Year:Page 0:unpublished:unpublished ""000ACORRECTION 21/11/91"" ""Unpublished correction to the Monte Carlo program KORALZ, version 3.8. for the lepton or quark pair production at LEP/SLC energies."" S. Jadach; B.F.L. Ward; Z. Was" Versions of this program held in the CPC repository in Mendeley Data ACBK_v1_0; Program Title; 10.1016/0010-4655(91)90077-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)