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

Операции: Положить на полку | Скопировать ссылку для форума | Скопировать ID

Предметный указатель

Induction interactions non-linear terms      540—541
Inhomogeneous fluid      143 163 169—170
Integral equation theory      2 341—440
Integral equation theory closure      342
Integral equation theory comparison of      414—415
Integral equation theory perturbation theory solution      see also “generalized mean field hypernetted mean percus and
Intensivity condition for a general property      195 219—222
Intensivity condition for correlation functions      201—202 222—224
Intermolecular frame      5 8 43—44
Intermolecular potential $\alpha$ terms in induction      554—557
Intermolecular potential a terms in induction      557—560
Intermolecular potential anisotropic part      38—39 45
Intermolecular potential atom-atom      33—34 165—166 175—177 289 292—300 354—355
Intermolecular potential atom-atom, potential parameters      112
Intermolecular potential atom-atom, spherical harmonic expansion of      106—114
Intermolecular potential barker — fisher — watts      33
Intermolecular potential corner's model      35—36
Intermolecular potential covalency, charge transfer      130—131
Intermolecular potential dipole-dipole      78 82—83 356 496—498
Intermolecular potential dispersion      91—100 304 550—552
Intermolecular potential dispersion, general shape molecules      99—100 498—500
Intermolecular potential dispersion, linear molecules      98
Intermolecular potential dispersion, semiclassical model      92—93
Intermolecular potential dispersion, tetrahedral molecules      99
Intermolecular potential effective      27
Intermolecular potential effective central      300—303
Intermolecular potential electron exchange      30 91—92
Intermolecular potential electronic excited state molecules      130—131
Intermolecular potential equipotential contours      31
Intermolecular potential from physical properties      27—29
Intermolecular potential from theoretical calculations      27
Intermolecular potential gaussian overlap model      36—37
Intermolecular potential higher order dispersion      95
Intermolecular potential induction      85—91 304 509—510 552—560
Intermolecular potential induction linear and spherical molecules      89—90
Intermolecular potential induction many-body      123—127 128—130
Intermolecular potential induction one molecule spherical      89
Intermolecular potential induction origin dependence      91
Intermolecular potential induction two linear molecules      90—91
Intermolecular potential isotropic part      38 45
Intermolecular potential kihara core model      37—38 293
Intermolecular potential large molecules      130—131
Intermolecular potential lennard — jones (12,6)      30
Intermolecular potential lennard — jones (n,6)      30
Intermolecular potential magnetic      29—30
Intermolecular potential models      30—38
Intermolecular potential multibody      27 123—130 304—315
Intermolecular potential multipole      45 48—85 496—498
Intermolecular potential multipole-like      39 260
Intermolecular potential non-rigid molecules      130—131
Intermolecular potential overlap      100—106
Intermolecular potential overlap, generalized stockmayer      101—105
Intermolecular potential overlap, origin dependence      106
Intermolecular potential point charge model      34—35 115—123
Intermolecular potential pseudo-atomic models      35—38
Intermolecular potential relativistic      30
Intermolecular potential resonance interactions      131
Intermolecular potential retardation effects      94—95
Intermolecular potential retarded dispersion      30
Intermolecular potential site-site      33—34 399
Intermolecular potential spherical harmonic expansion of      39—45
Intermolecular potential spherical harmonic expansion, convergence      114—123
Intermolecular potential spin-dependent overlap      30
Intermolecular potential st2 model      35 118—122
Intermolecular potential stockmayer, generalized      30—33 101—105 165—167 176—177 260—274 276—278 284 290—292 350 355 358—361 382—386
Intermolecular potential three-body      see also “atom-atom” 304—315
Internal energy      145
Invariant vector space      453
Ion-molecule scattering      567
Ionic fluids, moment conditions for      413—414
Ionization energy      93 97
Irreducible graphs      171 410 412 429
Irreducible vector space      453 471
Isobaric ensemble      3
Isotope separation factor      12
Isotope substitution experiments      12
Isotropic fluid      143 163
Iteration method of solution of integral equations      342 355 382 400 413 428
J-symbols      441 473—475 500—510
J-symbols, 12j      510
J-symbols, 6j      500-504
J-symbols, 9j      504-510
Jacobian      152—153
Kerr constant      144 169 174 236 249 386 405 541
Kerr effect      569—571 573
Kinetic energy average molecule      156—157
Kinetic energy rotational      150
Kinetic energy translational      150
Kirkwood integral equation      428
Kirkwood — buff theory      237
Kramers — Kronig transform      569
Laplace's equation      48 449
Laplace's equation solutions of      55 449
Laplacian      448
Laplacian angular      448 462
Lattice theory      2
Legendre function, associated      see “associated legendre function”
Legendre polynomial      443—444 456
Legendre polynomial expressions for      443
Legendre polynomial generating function      444
Legendre polynomial orthogonality condition      444
Levi — Civita symbol      see “tensor alternating see differential raman rayleigh
Line of nodes      459
Linear molecule, definition      38 150
Linearized hypernetted chain theory      see also “generalized mean field theory single corrected 271 354 359 380 384 390—391 423
London dispersion interaction      see also “intermolecular potential dispersion” 93 96
Lorentz — Lorenz relation      570
Magnetic dipole moment      29 566
Magnetic scalar potential      48
magnetic susceptibility      see “susceptibility and magnetizability”
Magnetizability anisotropy      566
Magnetizability tensor      566
Magnetostatic interactions      29 79
Matrices      531—536
Matrices characteristic equation of      536
Maxwell equations      46—47
Mayer f-function      206 209
Mean field approximation      381—382
Mean spherical approximation (msa)      267 270—271 355—380 391 405 423
Mean spherical approximation dielectric constant      373—377
Mean spherical approximation higher multipoles      367—370
Mean spherical approximation results      358—362
Mean spherical approximation solution of      362—370
Mean spherical approximation thermodynamics      see also “corrected msa”370—373
Mean squared force      9 10 229 608
Mean squared torque      9 11 95—96 230 608
methane      6 7 33 64 66 112 572 583
microcanonical ensemble      3 607
Mobius strip      504 510
Molecular beam resonance methods      566 577
Molecular beam scattering      567
Molecular centre      see “centre of molecule”
Molecular dynamics method      3
Moment conditions, for site-site correlation functions      405 414
Moment of inertia      150
Monopole (charge)      57
Monte Carlo method      3
Multibody interactions, induction      86
Multipole expansion      45—85
Multipole expansion cartesian tensor method      49—53 72—74 77
Multipole expansion charge distribution with electric field      72—76
Multipole expansion dynamic      57
Multipole expansion in two and four dimensions      45
Multipole expansion interaction of two charge distributions      76—85
Multipole expansion magnetic      48
Multipole expansion spherical tensor method      53—57 74—76 78—81
Multipole moments      50—53 58—72
Multipole moments approximation estimation methods (group, bond, atomic contributions)      567
Multipole moments body-fixed frame      60 87
Multipole moments change under inversion      60

Multipole moments change under rotation      60 62
Multipole moments general properties      58—60
Multipole moments in principal axes frame      58—59
Multipole moments magnitude      67—68 88
Multipole moments methods for determining      564—569
Multipole moments non-rigidity effects      569
Multipole moments nuclear and electronic contributions      564—565
Multipole moments number of body-fixed components      63
Multipole moments origin dependence      69—72
Multipole moments permanent      56
Multipole moments properties, linear molecules      61—63
Multipole moments properties, other symmetries      63—67
Multipole moments properties, spherical molecules      60—61
Multipole moments relation between spherical and cartesian5      7—8
Multipole moments spherical tensor form      54 56 57
Multipole moments transition      57
Multipole moments units for      574—575
Multipole moments values for various molecules      see also “transformation properties 72 577—592
Multipole-like potential      260
Neumann's Principle      61
Nine-j symbols      see “j symbols”
Nitrogen      6 27—28 31 112 119 159 298 565 572 573 578
Non-linear light scattering      567
Non-linear optical phenomena      569
Non-linear refractive index      570
Non-rigid molecules      8 130
Nuclear spin      158—159
Oblate shape      105
Octahedral symmetry      67
Octopole moment      50 57 65—67
Octopole moment methods of measurements      567 569
Octopole moment number of components      568—569
Octopole moment traceless      52
Octopole moment units for      574—575
Octopole moment values of      577—592
Onsager theory for dielectric constant      376—377
Optically active molecules      42—43
Optimized random phase approximation (orpa)      355
Order parameters      169
Ornstein — Zernike equation      170—171
Ornstein — zernike equation derivation      405—409
Ornstein — zernike equation factorization method of solution      415—423
Ornstein — zernike equation hnc closure      412
Ornstein — zernike equation mixtures      409
Ornstein — zernike equation particle-particle      412—414
Ornstein — zernike equation separation into reference and perturbation parts      350—353
Ornstein — zernike equation simplified derivation      409—412
Ornstein — zernike equation spherical harmonic expansion of      184—187 212—219 348—350
Ornstein — zernike equation spherical harmonic expansion of k frame form      215—217
Ornstein — zernike equation, site-site form      398
Overlap energy electrostatic      100
Overlap energy exchange      100
Overlap interaction      100—106
Overlap interaction origin dependence      106
Overlap interaction three body      128
Packing fraction      345
Pade approximants      264 312 333 530
Pairwise additivity approximation      13—15 164
Parity condition for spherical harmonic expansions      43 107 213
Parity inversion operation      454
Parity of generalized spherical harmonics      467
Parity of Legendre polynomials      443
Parity of spherical harmonics      454
Parity selection rule for clebsch — gordan coefficients      475
Parseval theorem      see “generalized parseval theorem”
Partition function      9
Partition function and thermodynamic properties      145—148
Partition function canonical      145 148 150 157—159
Partition function classical      148 150—151
Partition function configurational      157—158
Partition function factorization      148 157—159
Partition function grand      187
Partition function ideal gas      158 189
Partition function molecular      148 157—158 189
Partition function quantum corrections      224—237
Partition function rotational      157
Partition function separation into classical and quantal parts      148—149
Partition function translational      157
Pauli exclusion principle      100
Percus — yevick (py) theory      2 300 342—348 365—375 391 398 403 405 506—509
Percus — yevick (py) theory for hard spheres      344—348 419—420
Percus — yevick (py) theory heuristic derivation of      342—343
Percus — yevick (py) theory use in perturbation expansion      see also “corrected percus — yevick theory” 272
Permittivity      574
Perturbation theory (thermodynamic)      2 248—340
Perturbation theory (thermodynamic) and effective central potentials      300—303
Perturbation theory (thermodynamic) angular pair correlation function, general expansion      256—257
Perturbation theory (thermodynamic) atomic fluids      249—252
Perturbation theory (thermodynamic) barker — henderson      249 293 296—297 302
Perturbation theory (thermodynamic) bellemans expansion      282 284 286—289 290—292
Perturbation theory (thermodynamic) blip-function expansion      280—282 284—286 290—291 293 295 297—298 400—401
Perturbation theory (thermodynamic) cluster series approach      316
Perturbation theory (thermodynamic) f-expansion      274—284 289 292
Perturbation theory (thermodynamic) for centres correlation function      272—274
Perturbation theory (thermodynamic) for nonspherical repulsive potentials      284—289
Perturbation theory (thermodynamic) free energy, general expansion      257—258
Perturbation theory (thermodynamic) general property (b)      317—323
Perturbation theory (thermodynamic) history of      248—254
Perturbation theory (thermodynamic) ionic systems      315
Perturbation theory (thermodynamic) nonadditive potentials      304—315
Perturbation theory (thermodynamic) nonspherical reference system      282—283 289—300
Perturbation theory (thermodynamic) pade approximant      264 297—300 385—386
Perturbation theory (thermodynamic) quantum      541
Perturbation theory (thermodynamic) u-expansion      253—255 258—274 301—303 321—328 382—384
Perturbation theory (thermodynamic) u-expansion, pade approximant      264 272
Perturbation theory (thermodynamic) van der waals model      316—317
Perturbation theory (thermodynamic) weeks — chandler — andersen      249 284 294—296 302
phase diagram      16
Phase integral      149
Physical interactions      101
Point charge models      34—35 115—123
Poisson brackets      151 607
Poisson equation      48
Poisson summation formula      246
Polarizability      85 307—315 538—561
Polarizability a tensor      95—99 540—543 545—546
Polarizability a tensor, values of      573
Polarizability and principal axes      544
Polarizability anisotropy      87 308 310 545 570
Polarizability antisymmetric part      538—539 544
Polarizability as a spherical tensor      480 546—550
Polarizability atomic part      539 562 571
Polarizability body-fixed components      87 570
Polarizability classical models for      539—540
Polarizability complex      539 543
Polarizability dispersion corrections      572
Polarizability dynamic      93—94 96—97 539 543—544 572
Polarizability glossary of symbols for      560—561
Polarizability hermitian      542
Polarizability higher order tensor, values of      573
Polarizability higher order tensors      96 540—541
Polarizability hyper      see “hyperpolarizability”
Polarizability irreducible parts      544—546
Polarizability isotropic      89
Polarizability mean      87 570
Polarizability methods of measurement      569—572
Polarizability non-rigidity effects      571—572
Polarizability quantum calculation of      541—550
Polarizability real      538
Polarizability sign of anisotropy      571
Polarizability static      93 538
Polarizability symmetric part      538—539 544
Polarizability units for      574 576
Polarizability values for various molecules      572 577—592
Polarization energy      313
Polarization function      169
Potential field      46 51
Potential functions      see also “laplace's equation”441 448—450 463
Pressure      147 189
Pressure dynamical variable      193 604

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