Pyykkö Relativistic Theory of Atoms and Molecules II

A Bibliography 1986–1992
1993
ISBN: 978-3-642-51488-3
Verlag: Springer
Format: PDF
Kopierschutz: 1 - PDF Watermark

E-Book, Englisch, Band 60, 479 Seiten, eBook

Reihe: Lecture Notes in Chemistry

Relativistic effects are of major importance for understan-
ding the properties of heavier atoms and molecules. This
book is still the only comprehensive bibliography on related
calculations. The material is organized by subject into ta-
bles containing a concise characterization. Together with
Volume I (Lecture Notes in Chemistry Vol. 41, ISBN
3-540-17167-3) the literature until 1992 is now covered and
6577 references, with titles, are given in the two books.
The book will provide aconvenient reference for theoretical
chemists and atomic and molecular physicists interested in
the properties of heavier elements.
Contents: Introduction - One-particle problems - Quantum
electrodynamical effects - Multielectron atoms: methods -
Multielectron atoms: results - Symmetry - Molecular calcula-
tions - Solid-state theory - Relativistic effects and heavy-
element chemistry - Corrections to Volume I - Some comments
on notations and terminology - List of acronyms and symbols
- Bibliography.

Zielgruppe

Research

Autoren/Hrsg.

Pyykkö, Pekka

Inhaltsverzeichnis

1. Introduction.- Table 1.1. Monographs and other general references.- 2. One-particle problems.- 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.- Table 4 .13 . Relativistic nuclear calculations.- 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 affinities3.- Table 5.5. Supercritical (Z > 137) systems.-Table 5.6. Electromagnetic transition probabilities.- Table 5.7. Polarisabilities and screening constants9.- Table 5.8. Electric and magnetic hyperfine properties.- Table 5.9. Average radii ?rn? 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. Group theory and symmetry aspects.- 7. Molecular calculations.- Table 7.1. One-electron systems.- Table 7.2. LCAO-DF calculations on molecules.- Table 7.3. Molecular all-electron calculations using “no-pair” or other transformed Dirac Hamiltonians.- 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 calculations.- 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.- Table 8.2. Relativistic theories of solid- and liquid-state phenomena.- 9. Relativistic effects and heavy-element chemistry.- Table 9.1. “Relativity and the periodic system”. Periodic trends, reviews andpedagogical papers.- Table 9.2. Bond lengths.- Table 9.3. Magnetic resonance parameters.- Table 9.4. Electric dipole moments and molecular charge distributions.- Table 9.5. Molecular energy levels and energy transfer.- Table 9.6. Molecular ionization potentials and electron affinities.- Corrections to Volume I.- Some comments on notations and terminology.- List of acronyms and symbols.