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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Предметный указатель

Pressure equation of state      201—202 223
Pressure tensor      608 614
Pressure-broadening of spectral lines      96 567
Principal axes      58 150 544
Principal value of an integral      525
probability density      149—156
Probability distribution law      145—156
Prolate shape      105
Pseudo-atomic potentials      35—38
Pseudopotential      209
Quadratic hypernetted chain theory      359 384—386 390—391
Quadrupole moment      50 57 62
Quadrupole moment and molecular centre      566
Quadrupole moment axial and nonaxial      59 568
Quadrupole moment effective      68 568
Quadrupole moment magnitude of      68
Quadrupole moment methods of measurement      566—569
Quadrupole moment origin dependence      71—72 566
Quadrupole moment traceless      51
Quadrupole moment units for      574—575
Quadrupole moment values of      577—592
Quadrupole-quadrupole interaction      78 83 368 381
Quantum effects      6 8—13 224—237
Quantum effects diffraction      9 10
Quantum effects equipartition theorem      235—237
Quantum effects magnitude      12 13
Quantum effects rotational      9 11 229—235
Quantum effects symmetry      9
Quantum effects translational      9 10 227—229
Quantum notation      522—524
Quaternion parameters      458 463
Racah coefficient w      501
Racah spherical harmonics      445 563
Radial distribution function      see “distribution function radial”
Raman line intensities      570
Raman scattering      569—571
Raman scattering vibrational contribution      571
Random close packing      429
Raylcigh scattering      569—71
Rayleigh expansion      218 527—9
Reduced (dimensionless) thermodynamic variables      279 283 345
Reference interaction site model (rism)      274 295—296 398—412
Reference interaction site model corrections to      410—412
Reference interaction site model solution methods      400
Refractive index      569—571
Renormalization (reference) hypernetted chain theory      390
Renormalization theory for induction effects      308 310 312—315
Retardation effects      94—95
Right-handed coordinate system      442 468
Right-handed molecular shape      42—43 467
Rigid molecule approximation      5 143
Rigid molecule rotational energy eigenstates      226 231 232 461
Rotation active      446—448
Rotation generator      445
Rotation matrices      441 458—471
Rotation matrices as eigenfunctions      460—462
Rotation matrices as generalized spherical harmonics      462—463
Rotation matrices as irreducible tensors      478
Rotation matrices as tensors      478
Rotation matrices completeness      464
Rotation matrices definition      458 460
Rotation matrices group representation property      465
Rotation matrices integrals      465
Rotation matrices orthogonality      463
Rotation matrices potential functions and      463
Rotation matrices product rule      464—465
Rotation matrices recurrence relations for      463
Rotation matrices special cases      467
Rotation matrices symmetries      460
Rotation matrices transformation properties      466—467
Rotation matrices unitarity      464
Rotation operators      445—448 460—462
Rotation passive      446—448
Rotational invariance vi      39 54 79 107 164 180 441 483—485
Rotational temperature      6 11
Scalars      see “tensors”
Scaled particle theory      3 430
Schrodinger equation      148 174 541
Schrodinger notation      148 522
Second virial coefficient dielectric      13
Second virial coefficient pressure      see also “virial coefficients” 13
Self-consistent field method      see also “hartree — fock” 120—122 564—565
Semi-empirical calculations of molecular properties      577
Shape parameters      103—105
Single superchain (ssc) theory      see also “generalized mean field theory linearized 354 379 384 391—393
Site superposition approximation      175
Six-j symbols      see “j symbols”
Slater sum      149
Solid harmonics      449
Space-fixed frame      5 41 459
Specific interactions      101
Spherical harmonic expansion atom-atom potential      106—114
Spherical harmonic expansion coefficients, multipolar potentials      82
Spherical harmonic expansion for dispersion potentials      98 498—500
Spherical harmonic expansion for induction potentials      86 552—556
Spherical harmonic expansion for pair correlation function      180
Spherical harmonic expansion for potential      39—45
Spherical harmonic expansion for potential, convergence      114—123
Spherical harmonic expansion for rotational invariants      483—484
Spherical harmonic expansion for vector and tensor properties      485
Spherical harmonic expansion truncated, for pair correlation function      see also “ornstein — zernike equation” 183 355 356 380 414
Spherical harmonic expansion truncated, for potential      30 102 113 117—122
Spherical harmonics      39 441—458
Spherical harmonics addition theorem      451 481
Spherical harmonics as eigenfunctions      445
Spherical harmonics as tensors      478
Spherical harmonics completeness      450—451
Spherical harmonics definition      442—443
Spherical harmonics expressions for lower order      457—458

Spherical harmonics generalized or four-dimensional      462—463
Spherical harmonics gradient formula      454—456
Spherical harmonics integrals over      452
Spherical harmonics invariant combinations of      39 481 483
Spherical harmonics inversion (parity)      454
Spherical harmonics orthogonality      450
Spherical harmonics potential functions and      448—450
Spherical harmonics product rule      452
Spherical harmonics recurrence relation      450
Spherical harmonics special cases      456—458
Spherical harmonics transformation under rotation      452—454
Spherical top molecule, definition      150
Spherocylinders      278
St2 model for water      35 118—122
St2 model for water multipole moments for      120
Stark effect      565 569
Stress tensor      see “pressure tensor”
Structure factor      144 198—200
Structure factor pressure derivative of      198—200
Structure factor temperature derivative of      198—200
Sulphur hexafluoride      6 67 112 572 586
Superposition approximation      203 276 278 428
Superposition of electric fields      46
susceptibility      539 566
Symmetric top molecule, definition      150
Symmetry number      158—159
T-tensors      50
Tensor, alternating (levi — civita symbol)      485—486 520
Tensors      476—500 517—522
Tensors cartesian      489—491 517—522
Tensors contraction of      479 518
Tensors direct product of      517—518
Tensors irreducible      476
Tensors irreducible spherical      476—479
Tensors reduction and contraction of spherical      479
Tensors repeated index convention      518
Tensors spherical      476—500
Tensors symmetric and antisymmetric      518
Tensors trace      518—519
Tensors transformation between cartesian and spherical      489—500
Tensors transformation properties, conjugation      60
Tetrahedral symmetry      65—66
Thermodynamic consistency      266 334 347 606
Thermodynamic derivatives of a general property      192—197 219—222
Thermodynamic properties density expansion of      208—210
Thermodynamic properties from integral equations chapter      5
Thermodynamic properties from perturbation theory chapter      4
Thermodynamic properties quantum corrections to      9—13 224—236
Third law of thermodynamics      147—148
Three-body interactions      123—130
Three-body potential      14 15
Three-body potential effect on internal energy      14
Three-body potential effect on surface tension      14 15
Three-body potential effect on third virial coefficient      14 15
Three-j symbols      see also “clebsch-gordan coefficients” 473
Torque on molecule due to electric field      73—74
Trace of a matrix      536
Trace of a tensor      518
Traceless multipole moments      50 52—53 568
Traceless polarizability      544
Traceless t-tensors      50
Traceless tensors      490
Transformation properties, inversion      60
Transformation properties, rotational      60 477 489—90
Transformation properties, translational      69 72
Transformation, cartesian to spherical tensor forms      57—58 76 84—85
Translational invariance      164
Triangle selection rule      see “clebsch — gordan coefficients selection rules”
Triplet correlation function      200 203 256 276 278 428
Two-centre expansion      78—81
Uncertainty principle      see “heisenberg uncertainty principle”
Unit matrix      533
Unit step function      525
Unit tensor      518
Units xiv      574—576
Units xiv atomic      574—576
Units xiv electrostatic      574—576
Units xiv si      574—576
Universality      16
Unsold's theorem      451
Van der Waals forces      139
Van der waals models      316—317
van der Waals radius      28
Variational method      92 342 370 400
Vectors      see “tensors”
Vibrational frequency shifts      7 8
Vibrational temperature      6
Virial coefficients dielectric      208 567
Virial coefficients perturbation theory for      249
Virial coefficients pressure      208—210 567
Virial coefficients quantum corrections      209—210
Virial coefficients structural      208
Virial coefficients three-body effect      209
Virial equation of state      208
Virial series      1
Virial theorem      158 602—607 611
Virial theorem classical      603—605
Virial theorem quantum      605
Virial theorem used to prove thermodynamic consistency      606—607
Volume derivative of distribution function      222—224
Volume derivative of general property      219—222
Wall potential      602—603
Water      6 11 13 34 63 118—122 412—414 573 582
Wiener — Hopf factorization      369 415—419
Wigner distribution function      149
Wigner — Eckart theorem      57
Wigner — Kirkwood expansion      9 149 224 236
Y-function      161—162
Yvon — born — green theory      see also “bbgky hierarchy”
Zeeman effect      566

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