عنوان

Relativistic Theory of Atoms and Molecules :

3642933459

9783642933455

b575796

Relativistic Theory of Atoms and Molecules :

[Book]

a Bibliography 1916-1985

by P. Pyykkö.

Berlin, Heidelberg

Springer Berlin Heidelberg

1986

(ix, 389 pages)

Lecture notes in chemistry, 41.

1. Introduction --; Table 1.1. Monographs and other general references --; 2. One-particle problems --; 2.1. Special relativity and the old quantum theory --; 2.2. On the Klein-Gordon equation --; 2.3. The Dirac equation --; 3. Quantum electrodynamical effects --; Table 3.1. Higher-order corrections: methods --; Table 3.2. Higher-order corrections: hyperfine interactions --; Table 3.3. Higher-order corrections: energy levels --; Table 3.4. Higher-order corrections: interatomic and -molecular interactions --; 4. Multielectron atoms: methods --; Table 4.1. General methods and basic theory for multielectron atoms --; Table 4.2. Published programs for atoms --; Table 4.3. Numerical, non-statistical four-component methods --; Table 4.4. Four-component LCAO approaches for many-electron atoms --; Table 4.5. Various four-component local-density methods --; Table 4.6. Thomas-Fermi calculations --; Table 4.7. Independent-particle models --; Table 4.8. Definitions, reviews and background for effective potential calculations --; Table 4.9. Effective-potential methods --; Table 4.10. Available relativistic effective potentials --; Table 4.11. One-component and perturbation calculations --; Table 4.12. (1/Z- and other similar expansions for many-electron atoms --; 5. Multielectron atoms: results --; Table 5.1. Tabulations of atomic ground-state properties --; Table 5.2. Data on atomic energy levels --; Table 5.3. Auger and autoionization processes --; Table 5.4. Ionization potentials and electron affinities --; Table 5.5. Supercritical (Z> 137) systems --; Table 5.6. Electromagnetic transition probabilities --; Table 5.7. Polarisabilities and screening constants --; Table 5.8. Electric and magnetic hyperfine properties --; Table 5.9. Average radii and magnetic g-factors --; Table 5.10. Compton profiles, momentum distributions and spin densities --; Table 5.11. X-ray scattering factors --; Table 5.12. Electron and positron scattering --; Table 5.13. Particle-atom collisions. --; Table 5.14. Photon scattering and photoionization --; Table 5.15. Atom-atom collisions and interatomic potentials --; Table 5.16. Nuclear processes involving electronic wave functions --; Table 5.17. Parity-violation effects in atoms and molecules --; 6. Symmetry --; Table 6.1. Theory of double groups and related aspects --; Table 6.2. Available data for double groups --; Table 6.3. Time-reversal symmetry and related questions --; 7. Molecular calculations --; Table 7.1. One-electron systems --; Table 7.2. LCAO-DF calculations on molecules --; Table 7.3. Molecules treated by the DF-OCE method --; Table 7.4. Molecules treated by the DS-DVM method --; Table 7.5. Molecules treated by the DS-MS X? method --; Table 7.6. Molecules treated by the quasirelativistic DS-MS X? approach --; Table 7.7. Molecules treated by pseudopotential methods --; Table 7.8. Molecules treated by the Perturbative Hartree-Fock-Slater (P-HFS) method --; Table 7.9. First-order perturbation theory on molecules --; Table 7.10. Density functional calculations1 --; Table 7.11. Semiempirical methods --; Table 7.12. Relativistic crystal field theory --; Table 7.13. Relativistic theories of molecular properties --; 8. Solid-state theory --; Table 8.1. Band-structure calculations. --; 9. Relativistic effects and heavy-element chemistry --; Table 9.1. "Relativity and the periodic system". Periodic trends, reviews and pedagogical papers --; Table 9.2. Bond lengths --; Table 9.3. Dissociation and interaction energies --; Table 9.4. Force constants --; Table 9.5. Molecular fine-structure splittings --; Table 9.6. Magnetic resonance parameters --; Table 9.7. Electric dipole moments and molecular charge distributions --; Table 9.8. Molecular energy levels and energy transfer --; Table 9.9. Molecular ionization potentials and electron affinities --; Some comments on notations and terminology --; List of acronyms and symbols.

Chemistry.

by P. Pyykkö.

P Pyykkö

[Book]

Y