Relativistic Theory of Atoms and Molecules: A Bibliography 1916-1985

ISBN-13: 9783540171676 / Angielski / Miękka / 1986 / 389 str.

Pekka Pyykka

Opis

The project that finally led to this book, was originally started with Dr. Jean-Paul Desclaux. It is a pleasure to thank hirn for a fruitful collaboration stretching over more than a decade. While accepting the responsibility for any remaining errors and omissions, I wish to acknowledge in particular the comments by Teijo Aberg, Viktor Flambaum, Burkhard Fricke, Franz Mark and Arne Rosen. The Bibliography was compiled using a Fortran program, written for the DEC 20 at the University of Turku by Matti Hotokka, and adap- ted to the University of Helsinki Burroughs 7800 by Dage Sundholm. Harriet Bjornstrom did most of the typing and Kathe Ramsay cross- checked the text against the Bibliography. Readers, interested in obtaining a Wordstar-readable, IBM PC compatible diskette file (about 520 kb on a two-sided diskette) of the Bibliography should contact the author - Helsinki, 20 August, 1986 Pekka Pyykko CONTENTS 1. Introduction ................................................. 1 Table 1.1. Managraphs and ather general references ........... 2 2. One-particle problems ........................................ 5 2.1. Special relativity and the ald quantum theary ........... 5 2.2. On the Klein-Gardon equation ............................ 5 2.3. The Dirac equation ...................................... 6 Table 2.l. The Dirac equation: interpretative studies, symmetry properties and non-relativistic limits ............ 7 Table 2.2. The Dirac equation: further transformations ...... 13 Table 2.3. The Dirac equation: solutions for hydrogen-like systems. . ........................................ 1 6 Table 2.4. The Dirac equations: solutions for various n- coulomb fields. . ................................. 21 Table 2.5. Relativistic virial theorems ..................... 26 3. Quantum electrodynamical effects ............................ 27 Table 3.1.

Spis treści

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.- Table 2.1. The Dirac equation: interpretative studies, symmetry properties and non-relativistic limits.- Table 2.2. The Dirac equation: further transformations.- Table 2.3. The Dirac equation: solutions for hydrogen-like systems.- Table 2.4. The Dirac equations: solutions for various non-coulomb fields.- Table 2.5. Relativistic virial theorems.- 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.