Statistical mechanics algorithms and computations

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1. Verfasser: Krauth, Werner (VerfasserIn)
Format: Buch
Sprache:English
Veröffentlicht: Oxford [u.a.] Oxford Univ. Press 2008
Ausgabe:1. publ., repr.
Schriftenreihe:Oxford master series in physics 13 : Statistical, computational, and theoretical physics
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MARC

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Datensatz im Suchindex

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adam_text Contents 1 Monte Carlo methods 1 1.1 Popular games in Monaco 3 1.1.1 Direct sampling 3 1.1.2 Markov-chain sampling 4 1.1.3 Historical origins 9 1.1.4 Detailed balance 15 1.1.5 The Metropolis algorithm 21 1.1.6 A priori probabilities, triangle algorithm 22 1.1.7 Perfect sampling with Markov chains 24 1.2 Basic sampling 27 1.2.1 Real random numbers 27 1.2.2 Random integers, permutations, and combinations 29 1.2.3 Finite distributions 33 1.2.4 Continuous distributions and sample transformation 35 1.2.5 Gaussiane 37 1.2.6 Random points in/on a sphere 39 1.3 Statistical data analysis 44 1.3.1 Sum of random variables, convolution 44 1.3.2 Mean value and variance 48 1.3.3 The central limit theorem 52 1.3.4 Data analysis for independent variables 55 1.3.5 Error estimates for Markov chains 59 1.4 Computing 62 1.4.1 Ergodicity 62 1.4.2 Importance sampling 63 1.4.3 Monte Carlo quality control 68 1.4.4 Stable distributions 70 1.4.5 Minimum number of samples 76 Exercises 77 References 79 2 Hard disks and spheres 81 2.1 Newtonian deterministic mechanics 83 2.1.1 Pair collisions and wall collisions 83 2.1.2 Chaotic dynamics 86 2.1.3 Observables 87 2.1.4 Periodic boundary conditions 90 2.2 Boltzmann s statistical mechanics 92 2.2.1 Direct disk sampling 95 2.2.2 Partition function for hard disks 97 2.2.3 Markov-chain hard-sphere algorithm 100 2.2.4 Velocities: the Maxwell distribution 103 2.2.5 Hydrodynamics: long-time tails 105 2.3 Pressure and the Boltzmann distribution 108 2.3.1 Bath-and-plate system 109 2.3.2 Piston-and-plate system 111 2.3.3 Ideal gas at constant pressure 113 2.3.4 Constant-pressure simulation of hard spheres 115 2.4 Large hard-sphere systems 119 2.4.1 Grid/cell schemes 119 2.4.2 Liquid-solid transitions 120 2.5 Cluster algorithms 122 2.5.1 Avalanches and independent sets 123 2.5.2 Hard-sphere cluster algorithm 125 Exercises 128 References 130 Density matrices and path integrals 131 3.1 Density matrices 133 3.1.1 The quantum harmonic oscillator 133 3.1.2 Free density matrix 135 3.1.3 Density matrices for a box 137 3.1.4 Density matrix in a rotating box 139 3.2 Matrix squaring 143 3.2.1 High-temperature limit, convolution 143 3.2.2 Harmonic oscillator (exact solution) 145 3.2.3 Infinitesimal matrix products 148 3.3 The Feynman path integral 149 3.3.1 Naive path sampling 150 3.3.2 Direct path sampling and the Levy construction 152 3.3.3 Periodic boundary conditions, paths in a box 155 3.4 Pair density matrices 159 3.4.1 Two quantum hard spheres 160 3.4.2 Perfect pair action 162 3.4.3 Many-particle density matrix 167 3.5 Geometry of paths 168 3.5.1 Paths in Fourier space 169 3.5.2 Path maxima, correlation functions 174 3.5.3 Classical random paths 177 Exercises 182 References 184 Bosons 185 4.1 Ideal bosons (energy levels) 187 4.1.1 Single-particle density of states 187 4.1.2 Trapped bosons (canonical ensemble) 190 4.1.3 Trapped bosons (grand canonical ensemble) 196 4.1.4 Large- N limit in the grand canonical ensemble 200 4.1.5 Differences between ensembles — fluctuations 205 4.1.6 Homogeneous Bose gas 206 4.2 The ideal Bose gas (density matrices) 209 4.2.1 Bosonic density matrix 209 4.2.2 Recursive counting of permutations 212 4.2.3 Canonical partition function of ideal bosons 213 4.2.4 Cycle-length distribution, condensate fraction 217 4.2.5 Direct-sampling algorithm for ideal bosons 219 4.2.6 Homogeneous Bose gas, winding numbers 221 4.2.7 Interacting bosons 224 Exercises 225 References 227 5 Order and disorder in spin systems 229 5.1 The Ising model — exact computations 231 5.1.1 Listing spin configurations 232 5.1.2 Thermodynamics, specific heat capacity, and mag¬ netization 234 5.1.3 Listing loop configurations 236 5.1.4 Counting (not listing) loops in two dimensions 240 5.1.5 Density of states from thermodynamics 247 5.2 The Ising model — Monte Carlo algorithms 249 5.2.1 Local sampling methods 249 5.2.2 Heat bath and perfect sampling 252 5.2.3 Cluster algorithms 254 5.3 Generalized Ising models 259 5.3.1 The two-dimensional spin glass 259 5.3.2 Liquids as Ising-spin-glass models 262 Exercises 264 References 266 6 Entropie forces 267 6.1 Entropie continuum models and mixtures 269 6.1.1 Random clothes-pins 269 6.1.2 The Asakura-Oosawa depletion interaction 273 6.1.3 Binary mixtures 277 6.2 Entropie lattice model: dimers 281 6.2.1 Basic enumeration 281 6.2.2 Breadth-first and depth-first enumeration 284 6.2.3 PfafBan dimer enumerations 288 6.2.4 Monte Carlo algorithms for the monomer-dimer problem 296 6.2.5 Monomer-dimer partition function 299 Exercises 303 References 305 Τ Dynamic Monte Carlo methods 307 7.1 Random sequential deposition 309 7.1.1 Faster-than-the-clock algorithms 310 7.2 Dynamic spin algorithms 313 7.2.1 Spin-flips and dice throws 314 7.2.2 Accelerated algorithms for discrete systems 317 7.2.3 Futility 319 7.3 Disks on the unit sphere 321 7.3.1 Simulated annealing 324 7.3.2 Asymptotic densities and paper-cutting 327 7.3.3 Polydisperse disks and the glass transition 330 7.3.4 Jamming and planar graphs 331 Exercises 333 References 335 Acknowledgements 337 Index 339
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author Krauth, Werner
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Informatik
edition 1. publ., repr.
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spelling Krauth, Werner Verfasser aut
Statistical mechanics algorithms and computations Werner Krauth
1. publ., repr.
Oxford [u.a.] Oxford Univ. Press 2008
XII, 342 S. Ill., graph. Darst. 1 CD-ROM (12 cm)
txt rdacontent
n rdamedia
nc rdacarrier
Oxford master series in physics 13 : Statistical, computational, and theoretical physics
Stochastisches Modell (DE-588)4057633-4 gnd rswk-swf
Statistische Physik (DE-588)4057000-9 gnd rswk-swf
Monte-Carlo-Simulation (DE-588)4240945-7 gnd rswk-swf
Computerphysik (DE-588)4273564-6 gnd rswk-swf
Statistische Physik (DE-588)4057000-9 s
Computerphysik (DE-588)4273564-6 s
DE-604
Stochastisches Modell (DE-588)4057633-4 s
Monte-Carlo-Simulation (DE-588)4240945-7 s
Oxford master series in physics 13 : Statistical, computational, and theoretical physics (DE-604)BV017064373 13
Digitalisierung UB Passau application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020643777&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis
spellingShingle Krauth, Werner
Statistical mechanics algorithms and computations
Oxford master series in physics
Stochastisches Modell (DE-588)4057633-4 gnd
Statistische Physik (DE-588)4057000-9 gnd
Monte-Carlo-Simulation (DE-588)4240945-7 gnd
Computerphysik (DE-588)4273564-6 gnd
subject_GND (DE-588)4057633-4
(DE-588)4057000-9
(DE-588)4240945-7
(DE-588)4273564-6
title Statistical mechanics algorithms and computations
title_auth Statistical mechanics algorithms and computations
title_exact_search Statistical mechanics algorithms and computations
title_full Statistical mechanics algorithms and computations Werner Krauth
title_fullStr Statistical mechanics algorithms and computations Werner Krauth
title_full_unstemmed Statistical mechanics algorithms and computations Werner Krauth
title_short Statistical mechanics
title_sort statistical mechanics algorithms and computations
title_sub algorithms and computations
topic Stochastisches Modell (DE-588)4057633-4 gnd
Statistische Physik (DE-588)4057000-9 gnd
Monte-Carlo-Simulation (DE-588)4240945-7 gnd
Computerphysik (DE-588)4273564-6 gnd
topic_facet Stochastisches Modell
Statistische Physik
Monte-Carlo-Simulation
Computerphysik
url http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020643777&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
volume_link (DE-604)BV017064373
work_keys_str_mv AT krauthwerner statisticalmechanicsalgorithmsandcomputations