Relativistic Effects in Atoms, Molecules, and Solids

✍ Scribed by Joseph Sucher (auth.), G. L. Malli (eds.)

• Publisher: Springer US
• Year: 1983
• Tongue: English
• Leaves: 538
• Series: NATO Advanced Science Institutes Series 87
• Edition: 1
• Category: Library

✦ Synopsis

The NATO Advanced Study Institute (ASI) on "Relativistic Effects in Atoms, Molecules and Solids" cosponsored by Simon Fraser University (SFU) and Natural Sciences and Engineering Research Council of Canada (NSERC) was held at the University of British Columbia (UBC) , Van­ couver, Canada from August 10th until August 21st, 1981. A total of 77 lecturers and students with diverse backgrounds in Chemistry, Physics, Mathematics and various interdisciplinary subjects attended the ASI. In the proposal submitted to NATO for financial support for this ASI, it was suggested that recent impressive experimental developments coupled with the availability of sophisticated computer technology for detailed investigation of the relativistic structure of atoms, molecules and solids would provide an excellent testing ground for the validity and accuracy of the theoretical treatment of the rela­ tivistic many-electron systems involving medium and heavy atoms. Such systems are also of interest to the current energy crisis because of their usage for photovoltaic devices, nuclear fuels (UF6), fusion lasers (Xe*2)' catalysts for solar energy conversion, etc.

✦ Table of Contents

Front Matter....Pages i-x
Foundations of the Relativistic Theory of Many-Electron systems....Pages 1-53
Incidence of Relativistic Effects in Atoms....Pages 55-71
Formulation of the Relativistic N-Electron Problem....Pages 73-88
Techniques for Open Shell Calculations for Atoms....Pages 89-99
Self-Consistency and Numerical Problems....Pages 101-113
Numerical Dirac-Fock Calculations for Atoms....Pages 115-143
Lamb Shift in High-Z Atoms....Pages 145-167
Calculation of Relativistic Effects in Atoms and Molecules from the Schrödinger Wave Function....Pages 169-182
Relativistic Self-Consistent-Field Theory for Molecules....Pages 183-211
Dirac-Fock One-Centre Expansion Method....Pages 213-225
Relativistic Effects in Solids....Pages 227-304
Relativistic Hartree-Fock Theories for Molecules and Crystals in a Linear Combination of Atomic Orbitals Form....Pages 305-333
Relativistic Scattered-Wave Calculations for Molecules and Clusters in Solids....Pages 335-361
Fully Relativistic Effective Core Potentials (FRECP)....Pages 363-382
Electronic Structure of Molecules Using Relativistic Effective Core Potentials....Pages 383-401
Electron Structure of Molecules with Very Heavy Atoms Using Effective Core Potentials....Pages 403-420
Calculation of Bonding Energies by the Hartree-Fock Slater Transition State Method, Including Relativistic Effects....Pages 421-436
Relativistic Calculations for Atoms, Molecules and Ionic Solids: Fully Ab-Initio Calculations and the Foundations of Pseudo-Potential and Perturbation Theory Methods....Pages 437-487
The Geometry of Space Time and the Dirac Equation....Pages 489-499
Perturbation Theory of a Relativistic Particle in Central Fields....Pages 501-521
Back Matter....Pages 523-543

✦ Subjects

Physics, general