Computational Physics

620 Index

silicon,seeband structure, 146
simple cubic,seecrystal lattices, 123
Simpson’s rule, 567
simulated annealing,seeMonte Carlo (MC),
271
simulated tempering,seeMonte Carlo (MC),
337
six-vertex model, 348 , 366
Slater determinant, 54 , 56 – 58 , 60 , 78 – 80 , 82 ,
84 , 89
Slater type orbitals (STO),seebasis sets, 65
Slater–Koster method, 130
smart Monte Carlo,seeMonte Carlo (MC), 303
sparse matrices, 343 , 595 , 597
sparse matrix methods, 288
special point method, 128 , 147 , 162 , 168
spherical Bessel functions, 16 , 18 , 21 , 22 , 25 ,
558 , 602
spin waves,seeXYmodel, 48
spin-orbitals, 48 , 53 – 55 , 57 – 62 , 80 , 82 – 84 , 90 ,
91 , 93 , 97 , 267 , 271
split basis,seebasis sets, 68
split-operator scheme, 108
staggered fermions, 526
steepest descent method, 563 , 565
stick boundary conditions,seelattice
Boltzmann method, 458
stiff equations, 571
strain tensor, 432
strange attractor, 11
stress tensor, 430 , 453
strong interaction,seequantum
chromodynamics (QCD) and quarks,
528
structure factor, 148 , 151 , 154 , 194 , 195
successive over-relaxation (SOR), 481 , 482 ,
524 , 535 , 588
superfluid transition in helium, 404
Swendsen–Wang (SW) method,seeMonte
Carlo (MC), 492
symplectic geometry, 215 , 217
symplectic integrators, 212 , 215 – 217 , 220
systems of linear equations, 591
systolic algorithm, 555 , 556

thermodynamic integration, 176 , 316 , 317
three-dimensional harmonic oscillator, 20 , 390
time-dependent density functional theory
(TDDFT), 108 , 109
time-evolution operator, 219 , 221 , 223 , 338 ,
342 , 396 , 399
total cross section,seequantum scattering, 17
transfer matrix, 10 , 165 , 186 , 338 – 345 , 347 ,
350 , 366 , 398 , 414 , 416 , 417

transient estimator method,seequantum Monte

Carlo (QMC), 395

travelling salesperson problem (TSP), 327 , 328

tree code method, 258

trial wave functions, 373 , 379

cusp conditions, 379 , 380 , 392 , 393

Padé–Jastrow wave function, 393

two-electron integral,seeHartree–Fock, 60

uncorrelated wave function, 393

universality,seephase transition, 188

unrestricted Hartree–Fock (UHF),see

Hartree–Fock, 64

vacuum polarisation,seequantum field theory,

518

variational calculus, 10 , 30 – 32 , 80

energy functionals, 291

for infinitely deep potential well, 33 , 34

linear, 31 , 39

variational Monte Carlo(VMC),seequantum

Monte Carlo (QMC), 372

vector processing, 541 , 544

vector processor, 543 , 546

vector registers, 543 , 546

velocity autocorrelation function, 179 , 225 , 250

velocity rescaling, 225

Verlet algorithm, 113 , 201 , 202 , 209 , 211 – 215 ,

222 , 240 , 253 – 255 , 257 , 271 – 273 , 276 ,

279 – 281 , 283 , 285 , 289 , 291 , 443 , 489 ,

553 , 573 ,574, 576, 602

virial theorem, 178 , 254 , 256

Von Neumann bottleneck, 541

Von Neumann method, 299 , 310

Von Neumann stability analysis, 580 , 581

vortex excitations,seeXYmodel, 500

Weinert’s method, 163

Wick’s theorem, 473 , 479

Widom’s particle insertion method,seeMonte

Carlo (MC), 319

Wilson fermions, 530

world lines, 412 , 413

Wronskian, 603

XYmodel

helicity modulus, 502 , 503 , 535

spin waves, 48

vortex excitations, 500 , 501