Solid Hydrogen: Theory of the Properties of Solid H2, HD, and D2

摘要: 1. Properties of Isolated Hydrogen Molecules.- 1.1 The Adiabatic Approximation.- 1.2 Rotation-Vibration States.- 1.3 Molecular Multipole Moments and Polarizabilities.- 1.4 Dunham Model.- 1.5 Nuclear Symmetry Species for Homonuclear References.- 2. Intermolecular Interaction.- 2.1 Definition the Interactions.- 2.2 Long-Range 2.3 Short-Range 2.4 Models Pair Potential.- 3. Pure Vibrational Excitations.- 3.1 fcc hcp Structures.- 3.2 Single-Molecule Perturbations.- 3.3 Energy Bands.- 3.4 Localized 3.5 Raman Spectrum.- 4. Rotational Excitations in J = 0 Solids.- 4.1 Crystal-Field 4.2 4.2.1 J= 2 Band an Lattice.- 4.2.2 4.2.3 Bands Solid HD.- 4.2.4 Multiple 4.3 Mixed 4.3.1 S1(0) Q1(0) + S0(0) Manifolds.- 4.3.2 S1(0)+ Manifold.- 4.4 Rotation Infrared Spectra.- 4.4.1 Theoretical Foundations.- 4.4.2 4.4.3 5. Lattice Vibrations Elastic Properties.- 5.1 Harmonic 5.2 Quantum Crystals.- 5.2.1 Calculation Ground-State Energy.- 5.2.2 Nature Elementary 5.3 Anisotropic Debye Model 5.4 Two-Particle Distribution Functions Correlation Matrices.- 6. Single 1 Impurities 6.1 Interactions a Rigid 6.2 Effect Static Phonon Renormalization.- 6.3 Dynamic Effects.- 6.4 Specific Heat NMR 7. Clusters 7.1 Cluster Distributions.- 7.2 Clusters.- 7.3 Spectroscopy nn Pairs 7.4 Finer Details 7.5 between More Distant Neighbors.- 8. Ordered Phases.- 8.1 Orientational Structural Phase Changes.- 8.2 Four-Sublattice Structure 8.3 Order-Disorder Transition 8.3.1 Molecular-Field 8.3.2 Correlations.- 8.4 Librons 8.5 8.6 Ordering Solids at Ultrahigh Pressures.- 9. Diffusion Ortho-Para Conversion.- 9.1 Conversion Processes.- 9.2 Small Concentrations.- 9.2.1 Finite 9.2.2 Impurities.- 9.3 9.4 Experimental Results on Diffusion.- Appendix A. Spherical Tensor Formalism.- B. Sums.