Gray C.G., Gubbins K.E. — Theory of molecular fluids :: Электронная библиотека попечительского совета мехмата МГУ

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Gray C.G., Gubbins K.E. — Theory of molecular fluids

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Название: Theory of molecular fluids

Авторы: Gray C.G., Gubbins K.E.

Язык:

Рубрика: Физика/Физика твёрдого тела/Приложения/

Статус предметного указателя: Готов указатель с номерами страниц

ed2k: ed2k stats

Издание: 1

Год издания: 1984

Количество страниц: 626

Добавлена в каталог: 08.09.2005

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Ab initio calculations of potentials      27
Ab initio calculations of potentials of multipole moments and polarizabilities      564—565 569 572—573
Absorption coefficients      569
Adiabatic approximation      91
Adiabatic compressibility      197
Aliene      64 590
Alignment function      169
Ammonia      35 63 586
Angular correlation parameters $g_{l}$       169 238—240 386 397 403—405
Angular gradient operator      448 462
Angular momentum and kinetic energy      150
Angular momentum operator      445 461
Angular momentum relation to canonical momenta      150 210—212
Angular velocity      210 609 615
Anisotropic fluid      143 163 169
Appell function      108
Argon      6 15 17 33 415 577
Associated Legendre function      443—444 456
Association      101
Asymmetric top molecule, definition      150
Asymptotic expansions      114 230
Atom dipoles      567
Atom-atom interactions      79 106—114
Atom-dipole model      72
Average molecular kinetic energy      156
Average statistical mechanical      164 188 192 523
Average time      164 602
Axially symmetric molecules      61 63
Axilrod — teller dispersion potential      14 15 127—128
Baker — hausdorff identity      224 234 245
Barker — pople reference system      254 258 321
Basis set problem      564
benzene      6 7 33 35 37 565 572 586
Bessel function      218 528
Biedenharn — Elliott identity      504
Biological molecules      95
Body-fixed axes      40 60 459 568
Bogoliubov — born — green — kirkwood — yvon (bbgky) hierarchy      202—203 428
Bohr magneton      30 574
Bohr radius      30 574
Boltzmann factor      523
Bond length      7 8 36 399
Bond length reduced      36 112 277 279 400 403
Bond polarizability      573
Bond vibration      7
Bond-dipole model      72
Born — Oppenheimer approximation      91
Bosons      9 245
Buckingham unit for quadrupole moment      575
canonical ensemble      3 144
Canonical momenta      149 210—12
Cell theory      2
Central force model      412—14
Centre of charge      72
Centre of dipole      72 118
Centre of mass      9 29 71 150 615
Centre of molecule, choice of      29 150 158 615
Charge      50
Charge density definition      46
Charge density electron      28
Charge density electronic contribution      56
Charge density for isolated molecule      120
Charge density nuclear contribution      56
Charge transfer (chemical bonding)      100—101
Chebyshev polynomial expansions      137
Chemical interactions      101
chemical potential      187
Classical approximation      8—13 143
Classical limit of partition function      9 224—237
Clausius — mossotti function      377
Clebsch — Gordan coefficients      39 441 471—476
Clebsch — gordan coefficients abbreviated notation      475
Clebsch — gordan coefficients and      3
Clebsch — gordan coefficients orthogonality (unitarity)      473
Clebsch — gordan coefficients selection rules      472
Clebsch — gordan coefficients special values      475—476
Clebsch — gordan coefficients sum rules      473—474
Clebsch — gordan coefficients symbols      473
Clebsch — gordan coefficients symmetry properties      472
Clebsch — gordan coefficients tables and formulae      476
Collision-induced absorption      96 541 567 573
Collision-induced light scattering      541 570 573
Colloids      95
Commutation relations      228 230 605 611
Commutation relations for angular momentum operators      234 447 461
Commutator      157 225 605 611
Complete set of generalized spherical harmonics      464
Complete set of spherical harmonics      450
Complete set of states      523
Complexes      101
Compressibility adiabatic      197
Compressibility equation of state      169 199 202 237
Compressibility hierarchy      199
Compressibility isothermal      169 174 298
Computer simulation      3
Condon and shortley phase convention      442
Configuration interaction method      92 101 564
Configurational energy      164 372
Contour plots for charge density      28
Contour plots for intermolecular potentials      31
Convex bodies      289
Convolution, Fourier transform of      185 218 344
Corrected hypernetted chain approximation      390
Corrected linearized hypernetted chain approximation      390 393 431
Corrected mean spherical approximation (cmsa)      355
Corrected percus — yevick theory      390 435
Correlation function angular pair      144 164—166
Correlation function centres      162 166—7 272—4 277—9 286 289
Correlation function density expansion      206—209
Correlation function direct      170—3 237—240
Correlation function direct in k-space      177—178
Correlation function direct, density expansion of      343
Correlation function intramolecular      398—399 409
Correlation function limiting (large r) behaviour      166—169 171—172 191
Correlation function of order h      160—161 191 257
Correlation function site-site      144 173—178 397—414
Correlation function spherical harmonic coefficients of      144 180—184
Correlation function total      170—173
Correlation function uniqueness theorem for pair      178—180
Corresponding states correlations      302—303
Corresponding states correlations, shape parameter      303
Cosine law      451
Cotton — Mouton effect      566 570
Coulomb's law      46 574
Critical point      16
Cubic harmonics      66
Deboer parameter      10
DeBroglie wavelength      9 158
Debye theory for dielectric constant      376—377
Debye units for dipole moment      575
Degeneracy      147
Delta function      see “dirac delta function”
Density expansion of correlation functions      206—209
Density expansion of thermodynamic properties      208—210
Density operator (or matrix)      524
Depolarization ratio      570—571
Depolarized light scattering      144 405 477 544 570—571
Determinant      533
Diagrams      see “graph notation”
dielectric constant      144 169 174 237 249 397 405 541 565 569
Dielectric constant measurements      565 569
Dielectric constant theory      360—361 374—377 405 410
Differential light scattering      493—495
Diffraction measurements      see “structure factor”
Dimers, gas      83—84
Dipole field tensor t      51 124—125 306—307 313
Dipole moment induced      85
Dipole moment mean total      307
Dipole moment methods of measurement      565—566
Dipole moment sign of      565

Dipole moment total      124 306—307
Dipole moment units for      574—575
Dipole moment values of      577—592
Dipole-dipole interaction      78 82—83 496
Dipole-quadrupole interaction      78 83
Dirac delta function      524—526
Dirac notation      148 522
Direct correlation function density hierachy for      199
Direct correlation function equations for structural properties      237—240
Direct correlation function equations for thermodynamic properties      see also “correlation function direct” 237—240
Direction cosines      469—470
Dispersion and frequency dependence of polarizability      572
Dispersion interactions, three-body      see also “intermolecular interactions dispersion”
Distribution function $\lambda$ derivative of      203—204
Distribution function $\omega$ derivative of      202—3 204
Distribution function (contd.) in grand canonical ensemble      187—192
Distribution function centres      162
Distribution function configurational      154 190 192
Distribution function density derivative of      197—200 204
Distribution function factorization of      148—156
Distribution function for mixtures      204—206
Distribution function generic      160—170 190—192
Distribution function hierarchy equations for      192—204
Distribution function in canonical ensemble      145—180
Distribution function r derivative of      202—203 204
Distribution function radial      162
Distribution function reduced      159—161
Distribution function separation into classical and quantal parts      148—149
Distribution function single molecule      154—156
Distribution function specific      159—160
Distribution function temperature derivative of      200—201 204
Distribution function thermodynamic derivatives of      197—202 204 222—4
Distribution function volume derivative of      201—202 204 222—224
Distribution law canonical ensemble      145
Distribution law grand canonical ensemble      187—188
Drude harmonic oscillator model      97 539
Dumbells, hard      33—34 276—284 286
Dynamic fields      52 57
electric field      46 51
Electric field dynamic      73
Electric field interaction with charge cloud      72—76
Electric field outside a charge distribution (multipole expansion)      51
Electron exchange      30 91
Electron gas model      92 101
Electrostatic energy, total      124
Electrostatics, review of      46—48
Ellipsoids, hard prolate      289
Entropy absolute      146
Entropy at absolute zero      147
Equation of state      267 283 294 296
Equation of state $\chi$ -route      346 372 394
Equation of state a -route      372 393
Equation of state canonical expression      147
Equation of state generalized van der waals      317
Equation of state grand canonical expression      190
Equation of state p-route      346 372 393
Equation of state u-route      373 394
Equipartition theorem      156 611 612
Equipartition theorem quantum corrections to      156 235—237
Equipotential surfaces      31 51
ethylene      7 59 159 572 590
Euler angles      29 40 459—60
Euler — Maclaurin formula      231
Excitation energy      92
Excitation energy, average      92—93
Factorial, double      73 443 456
Factorial, shifted      108
fermions      9 245
Field due to charge distribution      48—58
Field gradient induced birefringence      541
Field lines      51 52
Fine structure constant      30
Fluctuation density      196
Fluctuation energy      196
Fluctuation formulae      192—204
Fluctuation pressure      197
Force on molecule due to electric field      73—74
Fourier transform      212 416
Fourier transform of a convolution      218
Fused hard sphere fluid      399
Fused hard sphere potential      38
Gases moderate density      1
Gases perfect      see also “virial coefficients”
Gaunt's formula      452
Generalized mean field theory (gmf)      341 354 359 377 379—397
Generalized mean field theory and multi-body induction      386
Generalized mean field theory corrections      391—393
Generalized mean field theory derivation      387—390
Generalized mean field theory electrolytes      386
Generalized mean field theory equivalence to lhnc      390—391
Generalized mean field theory mixtures      386
Generalized mean field theory non-axial multipole effects      386
Generalized mean field theory thermodynamics      see also “linearized hypernetted chain theory and single superchain theory”
Generalized mean spherical approximations (gmsa)      355 373
Generalized parseval theorem      395—397 526—527
Generalized spherical harmonics      39
Generalized spherical harmonics invariant combinations of      39 483
Generating function, Legendre polynomials      53
Gibbs — Duhem equation      188
Gibbs — Helmholtz equation      145
Gradient operator      448 521
Gradient operator angular      448 462
grand canonical ensemble      3 144 187—192
Grand partition function      187
Graph notation      207 343 387
Group      465 512
Group representation      465
Gyromagnetic tensor      566
Hamiltonian function      149
Hamiltonian operator      148 224 523
Hankel transform      185 218—219
Hard sphere fluid      249 344 419
Hartree — Fock method      see also “self-consistent field method” 101 120 128 564
heat capacity      196
Heat of sublimation      567
Heisenberg equation of motion      605 611
Heisenberg uncertainty principle      151 156
Hellmann — feynman theorem dynamical      92 100 134 543 562
Hellmann — feynman theorem statistical mechanical      236 247 606 613
Helmholtz free energy      145 147 606
Helmholtz free energy in terms of pair correlation function      370
Hermitian operator      445 562
Hexadecapole moment      52 57 65—67
Hexadecapole moment methods of measurement      567 569
Hexadecapole moment units for      574—575
Hexadecapole moment values of      577—592
Higher polarizabilities      see also “polarizability a 561 573
Hilbert space      522
Hohenberg — Kohn theorem      134
Homogeneous fluid      143 163
Hydrogen bonding      35 101
Hydrogen chloride      6 7 17 71 112 298 572 579
Hypernetted chain theory      2 342—344 347 392—393 405
Hypernetted chain theory heuristic derivation      343
Hypernetted chain theory thermodynamics for      423—426
Hypernetted chain theory use in perturbation theory      see also “corrected hypernetted chain theory”
Hyperpolarizability      540—541
Hyperpolarizability methods of measurement      573
Hyperpolarizability values of      573
Hypervirial theorems      10 11 230 607—611
Hypervirial theorems angular      230 608
Hypervirial theorems classical      607—611
Hypervirial theorems quantum      611 614
Ideal gas      158 189
Ideal mixture      205
Indirect correlation between molecules      170 343
Induced birefringence      566 573
Induction energy      538 541—2
Induction interactions      85—91 304—315 509—510 550—560
Induction interactions field-gradient terms      540—541

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