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| Haile J.M. — Molecular Dyanmics Simualtion: Elementary Methods |
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| Ïðåäìåòíûé óêàçàòåëü |
Time correlation functions, code for computing 399—410
Time correlation functions, code for computing 399—410
Time correlation functions, collective 291—296
Time correlation functions, collective 291—296
Time correlation functions, cross 278 320
Time correlation functions, cross 278 320
Time correlation functions, definition of 278
Time correlation functions, definition of 278
Time correlation functions, derivatives of 280—281
Time correlation functions, derivatives of 280—281
Time correlation functions, short-time behavior of 281—282
Time correlation functions, short-time behavior of 281—282
Time correlation functions, single-particle 282—291
Time correlation functions, single-particle 282—291
Time correlation functions, static 281—282
Time correlation functions, static 281—282
Time correlation functions, stationary property of 278 281—282 319
Time correlation functions, stationary property of 278 281—282 319
Time correlation functions, stress 293—296 305—306
Time correlation functions, velocity 233 282—291
Time reversal invariance 145 182—183
Time, units of 113 199 219
Time-step 202
Time-step 202
Time-step as indicator of order of finite-difference method 151 181 184
Time-step as indicator of order of finite-difference method 151 181 184
Time-step effect on errors 152—153 164 175
Time-step effect on errors 152—153 164 175
Time-step effect on stability 154—157 180—181 183 220
Time-step effect on stability 154—157 180—181 183 220
Time-step, units of 163 219
Time-step, units of 163 219
Time-step, value of, for Gear algorithms 163 183 202 220
Time-step, value of, for Gear algorithms 163 183 202 220
Torus 47 49—50 98
Torus 47 49—50 98
Trains at station 310
Trains at station 310
Trains passing 292
Trains passing 292
Transport properties 296—310
Transport properties 296—310
Truncated potential 190—192
Truncated potential 190—192
Truncated potential, corrections for 227 229—230 234 248—249 269 271—272
Truncated potential, corrections for 227 229—230 234 248—249 269 271—272
Truncation error see "Errors in
Truncation error see "Errors in
Turkey shoot 180
Turkey shoot 180
Two-dimensional harmonic oscillator see "Harmonic oscillator"
Two-dimensional harmonic oscillator see "Harmonic oscillator"
Two-way plots 354—359
Two-way plots 354—359
Uncertainties see "Errors"
Uncertainties see "Errors"
Unit cell, for fcc lattice 115—116 418 446
Unit cell, for fcc lattice 115—116 418 446
Units for hard spheres 112—113
Units for hard spheres 112—113
Units for soft spheres 198—199
Units for soft spheres 198—199
Units, conversion factors for 462
Units, conversion factors for 462
Unpredictable dynamics see "Dynamics predictable"
Unstable trajectories see "Stability of
Unstable trajectories see "Stability of
| Validity of a simulation 20—23
Validity of a simulation 20—23
Van Hove correlation functions 310—311
Van Hove correlation functions 310—311
Variance 72—77 101
Vaudeville 8
Velocity autocorrelation function 282—291
Velocity autocorrelation function 282—291
Velocity autocorrelation function of ODHO 282—283 320
Velocity autocorrelation function of ODHO 282—283 320
Velocity autocorrelation function, calculation of 284—287
Velocity autocorrelation function, long-time tail of 289—291 303
Velocity autocorrelation function, relation to mean square force 233 323
Velocity autocorrelation function, relation to mean square force 233 323
Velocity autocorrelation function, relation to temperature 283
Velocity autocorrelation function, relation to temperature 283
Velocity autocorrelation function, short-time behavior of 281—282 323
Velocity autocorrelation function, short-time behavior of 281—282 323
Velocity autocorrelation function, uncertainties in 287—289
Velocity autocorrelation function, uncertainties in 287—289
Velocity distribution 64—66 106 113 117 120—123 131 167—172 206—207 211 394—397 434 456
Velocity distribution 64—66 106 113 117 120—123 131 167—172 206—207 211 394—397 434 456
Velocity of sound 86—87 98 243 289 463
Velocity of sound 86—87 98 243 289 463
Velocity, initial assignment of, for hard spheres 113 117 419
Velocity, initial assignment of, for hard spheres 113 117 419
Velocity, initial assignment of, for soft spheres 202
Velocity, initial assignment of, for soft spheres 202
Velocity, initial assignment of, to adjust for zero momentum 113 117 203 220 384—385 419 447
Velocity, initial assignment of, to scale for energy 200 220 459
Velocity, initial assignment of, to scale for energy 200 220 459
Velocity, initial assignment of, to scale for temperature 200 384—385 396—397 459
Velocity, initial assignment of, to scale for temperature 200 384—385 396—397 459
Velocity, peculiar 62
Velocity, peculiar 62
Velocity, postcollision 105—107 114 423
Velocity, postcollision 105—107 114 423
Velocity, precollision 105—107
Velocity, precollision 105—107
Velocity, reversal 178 183 184
Velocity, reversal 178 183 184
Verlet algorithm 158—159 181—184
Verlet algorithm 158—159 181—184
Verlet algorithm compared with Gear 164—165 172—177 182—183
Verlet algorithm compared with Gear 164—165 172—177 182—183
Virial 127 132 292 338 429 451
Virial 127 132 292 338 429 451
Virial coefficient, second 144 218—219
Virial coefficient, second 144 218—219
Virial theorem 126—127 292 332—333
Virial theorem 126—127 292 332—333
Viscosity, bulk 294 298 306 309
Viscosity, bulk 294 298 306 309
Viscosity, longitudinal 298
Viscosity, longitudinal 298
Viscosity, shear 290 294 298 305—310 323—325 463
Viscosity, shear 290 294 298 305—310 323—325 463
Volume, phase-space 63 67 102—103 243—244 340 350 352
Volume, phase-space 63 67 102—103 243—244 340 350 352
Volume, units of, in English system 464
Volume, units of, in English system 464
Water 29 31 217 357 463
Water 29 31 217 357 463
Wobegon, Lake 293—294
Wobegon, Lake 293—294
Work 40 94 246—247
Work 40 94 246—247
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