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Showing papers in "Computer Physics Communications in 2006"


Journal ArticleDOI
TL;DR: A program for calculating the semi-classic transport coefficients is described, based on a smoothed Fourier interpolation of the bands, which in principle should be exact within Boltzmann theory.

3,909 citations


Journal ArticleDOI
TL;DR: A scheme for the calculation of linear optical properties by the all-electron full-potential linearized augmented planewave (LAPW) method and as an example the formalism is applied to Aluminum.

1,081 citations


Journal ArticleDOI
TL;DR: Starting from chemical composition, USPEX is tested on numerous systems for which the stable structure is known and has observed a success rate of nearly 100%, simultaneously finding large sets of crystals.

960 citations


Journal ArticleDOI
TL;DR: ESResSo was to provide a user friendly and fast simulation tool which serves at the same time as a research platform capable of rapidly incorporating the latest algorithmic developments in the field of soft matter sciences.

692 citations


Journal ArticleDOI
TL;DR: A package written in MATHEMATICA that automatizes typical operations performed during evaluation of Feynman graphs with Mellin–Barnes (MB) techniques, allowing to analytically continue a MB integral in a given parameter without any intervention from the user and thus to resolve the singularity structure in this parameter.

493 citations


Journal ArticleDOI
D. Maître1
TL;DR: An implementation of the harmonic polylogarithms which appear in the evaluation of Feynman diagrams for Mathematica is presented, allowing the user to keep the control over the definition of the sign of the imaginary parts.

444 citations


Journal ArticleDOI
TL;DR: The improved properties of the NMHDECAY program, that is designed to compute Higgs and sparticle masses and Higgs decay widths in the NMSSM, are described and the RGEs for the soft terms up to the GUT scale are integrated.

437 citations


Journal ArticleDOI
TL;DR: The latest version of micromegas, a code that calculates the relic density of the lightest supersymmetric particle in the MSSM, is presented, with all tree-level processes for the annihilation of the LSP as well as all possible coannihilation processes with neutralinos, charginos, sleptons, squarks and gluinos.

430 citations


Journal ArticleDOI
TL;DR: The Mathematica package HypExp is presented which allows to expand hypergeometric functions F J − 1 J around integer parameters to arbitrary order by applying two methods, the first being based on an integral representation, the second on the nested sums approach.

321 citations


Journal ArticleDOI
Oleg Zatsarinny1
TL;DR: BSR is a general program to calculate atomic continuum processes using the B-spline R-matrix method, including electron–atom and electron–ion collision processes, and radiative processes such as bound–bound transitions, photoionization and polarizabilities.

240 citations


Journal ArticleDOI
TL;DR: This variant of the HMC algorithm with mass preconditioning (Hasenbusch acceleration) and multiple time scale integration is tested for standard Wilson fermions and it is shown that in this situation its performance is comparable to the recently proposed HMC variant with domain decomposition as preconditionser.

Journal ArticleDOI
TL;DR: Qprop is developed to study laser–atom interaction in the nonperturbative regime where nonlinear phenomena such as above-threshold ionization, high order harmonic generation, and dynamic stabilization are known to occur by solving the time-dependent Schrodinger equation in three spatial dimensions.

Journal ArticleDOI
Sven Moch, Peter Uwer1
TL;DR: This paper discusses the implementation of several algorithms to solve the so-called nested sums by algebraic means, using the computer algebra system Form.

Journal ArticleDOI
TL;DR: This work presents a summary of new features of the ZFITTER program version 6.42 compared to 6.21, including some higher-order QED corrections to fermion pair production, and electroweak one-loop corrections to atomic parity violation.

Journal ArticleDOI
TL;DR: TSIL is a library of utilities for the numerical calculation of dimensionally regularized two-loop self-energy integrals, and computes the values of all of these basis functions, for arbitrary input masses and external momentum.

Journal ArticleDOI
TL;DR: A Monte Carlo event generator designed for studying of particle production in relativistic heavy-ion collisions performed at such experimental facilities as the SPS, RHIC, or LHC, the program implements thermal models of particleproduction with single freeze-out.

Journal ArticleDOI
TL;DR: A suite of Mathematica-based computer-algebra packages, termed Kranc, which comprise a toolbox to convert certain systems of partial differential evolution equations to parallelized C or Fortran code for solving initial boundary value problems are presented.

Journal ArticleDOI
TL;DR: The system for maintaining the versions of the TAUOLA of tau-lepton decay and PHOTOS for radiative corrections in decays and documentation of the programs updates introduced over the last two years are presented.

Journal ArticleDOI
TL;DR: The program Fittino has been developed and uses an iterative fitting technique and a Simulated Annealing algorithm to determine the SUSY parameters directly from the observables without any a priori knowledge of the parameters, using all available loop-corrections to masses and couplings.

Journal ArticleDOI
TL;DR: A computer program called TRACK_TEST for calculating parameters and plotting profiles in nuclear track materials resulted from light-ion irradiation and subsequent chemical etching is described, including calculations of alpha-particle ranges, determination of the distance along the particle trajectory penetrated by the chemical etchant, calculations of track coordinates, determined of the lengths of the major and minor axes anddetermination of the contour of the track opening.

Journal ArticleDOI
TL;DR: The present part of the SANC description places emphasis on an extensive discussion of an important first step of calculations of the one-loop amplitudes of 3- and 4-particle processes in QED, QCD and EW theories, as well as theoretical predictions for many high energy interactions of fundamental particles at theOne-loop precision level.

Journal ArticleDOI
TL;DR: All the new features of SHARE, designed for the statistical analysis of particle production in relativistic heavy-ion collisions, are described, with emphasis on statistical fluctuations.

Journal ArticleDOI
TL;DR: An analytic derivation of the inverse S-matrix and a Hermitian preconditioning operator suitable for use in ultrasoft schemes and shown to offer considerable improvements over standard schemes for a set of representative test cases, as well as a SrTiO3 system of particular scientific interest.

Journal ArticleDOI
TL;DR: A vectorized version of the MatLab (MathWorks Inc.) package tweezercalib for calibration of optical tweezers with precision is presented, which allows the user to easily see whether the data comply with the theory used for their interpretation.

Journal ArticleDOI
TL;DR: To understand the mechanism behind the Wang–Landau method, an error analysis found that a steady state is reached where the fluctuations in the accumulated energy histogram saturate at values proportional to [ log ( f ) ] − 1 / 2 .

Journal ArticleDOI
TL;DR: This program implements the KMR model, which is the only fully perturbative model of exclusive production, and offers the opportunity to study particle production in a uniquely clean environment for a hadron collider.

Journal ArticleDOI
TL;DR: This work was primarily motivated by the need to find a straightforward way to parallelize PENELOPE, a code for MC simulation of radiation transport that employs the generator RANECU, which uses a combination of two multiplicative linear congruential generators (MLCGs).

Journal ArticleDOI
TL;DR: The construction of a fourth-order symplectic exponentially fitted modified Gauss method that is modified in the sense that two free parameters are added to the Buthcher tableau in order to retain symplecticity.

Journal ArticleDOI
TL;DR: A double precision routine in Fortran is presented for the precise and fast numerical evaluation of the two Master Integrals of the equal mass two-loop sunrise Feynman graph for arbitrary momentum transfer.

Journal ArticleDOI
TL;DR: A Glauber model is used with the scattering wavefunctions calculated in the eikonal approximation to calculate momentum distributions in stripping and diffraction dissociation reactions, appropriate for knockout reactions at intermediate energy collisions.