Index 1379
for hydrogen atom, 725–726
relative
angular momentum values,
733–736, 735f
theΦfunctions, 731–732
first separation of variables, 730
theΘfunctions, 733
second separation of variables, 730–731
spherical polar coordinates, 725
in three dimensions, 661–662
time-dependent, 659–661, 680
for particle in a box, 668
second postulate, 684
wave functions, 708–709
time-independent, 680
for atoms with more than three
electrons, 785
free particle in one dimension, 671–672
free particle in three dimensions,
672–673, 728–729, 728f
harmonic oscillator, 674–679,
1278–1280
for hydrogen atom, 727–728, 759
nonrigorous derivation of, 658–659
particle in a one-dimensional box,
663–666, 664f
particle in a three-dimensional box,
669–670, 669f, 1276–1278
wave functions, 707
zero-order
helium, 765–766
lithium, 781–782
Schrödinger, Erwin, 657
Second (s), 8, 621
Second harmonic.SeeFirst overtone
Second law of thermodynamics.See
Thermodynamics, second law of
Second moment, 1195
Second order equation, 624
Second overtone, 966
Second partial derivative, 16
Second postulate, of quantum mechanics,
683–684, 721
Second-order phase transitions, 217, 218f
Second-order reactions, 491–493
collision theory and, 536
first-ordervs., 493, 493f
gaseous bimolecular elementary
process, 526
half-life of, 492, 496
method of initial rates, 497, 497f
pseudo, 504
rate law for, 491, 495, 495f
Second-order spectrum, NMR, 1018
Secular equation, 804, 887, 1287, 1290
Sedimentation coefficient, 472
Sedimentation, of liquids, 472–473
Sedimentation speed, 472
Selection rules
for electric dipole transitions, 953
for electronic spectra, 972–973
for hydrogen atom, 959
for multielectron atoms, 960, 962
for Raman spectroscopy, 990–991
for vibrational spectra, 964, 976
Self-consistent field, 798
Self-consistent field method
for ground state of helium atom, 797–798
Hartree–Fock–Roothaan method, 798–799
for hydrogen molecule, 840, 840t
for lithium atom, 807
for orbital wave function, 789, 819
overview of, 796
Self-diffusion, in hard-sphere gas, 460–464,
461f
analysis of, 461, 461f
diffusion coefficient, 463
mean free path, 462–463
mean speed, 462
Semiconductors, crystalline solids as,
1172–1174, 1173–1174f
Semiempirical methods
of computation chemistry, 904
Hückel method, 887
Separation constant, of flexible string, 632
Separation of variables, 631
Sequential mechanism, of chemical
reactions, 524
Shearing flow, in liquids, 471
Shell, of electrons, 742
Shielding
diamagnetism, 1015
of variation function for helium atom,
764f, 793–795
Shock-tube method
for fast reaction study, 515–516
reactive intermediate detection with, 609
SI units.SeeInternational System of Units
Siemens, conductivity, 476
Significant digits, 10
Silver, 286–287, 286–287f
Similarity transformation, 1295Simon, Franz Eugen, 139
Simon, Pierre, 227, 449
Simple lattice, 1155t, 1156, 1156f
Simple system, 42
chemical potential of, 184
equilibrium state of, 155–157
Gibbs energy, 155–156, 155f
Helmholtz energy, 156
fundamental relations for, 158–166, 195
Gibbs energy of, 182–183
internal energy of, 183–184
maximum work by, 156–157
Maxwell relations of, 159–166
two-phase, 200–201, 200f
Single covalent bond, 839
Singular, matrix, 1250
Singularity, in phase transition, 217, 217f
Sir Francis.SeeSimon, Franz Eugen
Slater determinant, 782
for atoms with more than three electrons, 785
for beryllium hydride, 869–870
for lithium atom, 782–783
Slater, John C., 782, 798
Slater-type orbitals (STOs), 798
computation of, 907–908
of water, 894–895, 895t
Smalley, Richard E., 1205
Soave equation of state, 23, 23t
Sodium chloride, unit cells of, 1154
Solid solutions, ideal solutions as, 243
Solid-liquid phase diagrams, 285–288,
285–288f
with compounds, 288–289f, 288–290
Solids
activities of, 259
chemical reactions, involving gases,
310–313
electrical resistance in, 1179–1184
superconductivity, 1183–1184
equilibrium constant of, 312–313
Gibbs energy calculations for, 178, 195
heat capacity of, 76–77
standard state of, 87
structure of, 1154–1161, 1155f, 1206
crystal systems and Bravais lattices,
1154–1158, 1155t, 1156–1157f
crystal vibrations, 1162–1170
crystalline solid electronic structures,
1171–1179
X-ray diffraction and Miller indices,
1158–1161, 1159f, 1161f