Relativistic Effects in Atoms, Molecules, and Solids
Title | Relativistic Effects in Atoms, Molecules, and Solids PDF eBook |
Author | G.L. Malli |
Publisher | Springer Science & Business Media |
Pages | 539 |
Release | 2012-12-06 |
Genre | Science |
ISBN | 1461335965 |
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.
Relativistic Effects in Atoms, Molecules, and Solids
Title | Relativistic Effects in Atoms, Molecules, and Solids PDF eBook |
Author | G L Malli |
Publisher | |
Pages | 556 |
Release | 1983-04-01 |
Genre | |
ISBN | 9781461335979 |
The Effects of Relativity in Atoms, Molecules, and the Solid State
Title | The Effects of Relativity in Atoms, Molecules, and the Solid State PDF eBook |
Author | Stephen Wilson |
Publisher | Springer Science & Business Media |
Pages | 341 |
Release | 2012-12-06 |
Genre | Science |
ISBN | 1461537029 |
Recent years have seen a growing interest in the effects of relativity in atoms, molecules and solids. On the one hand, this can be seen as result of the growing awareness of the importance of relativity in describing the properties of heavy atoms and systems containing them. This has been fueled by the inadequacy of physical models which either neglect relativity or which treat it as a small perturbation. On the other hand, it is dependent upon the technological developments which have resulted in computers powerful enough to make calculations on heavy atoms and on systems containing heavy atoms meaningful. Vector processing and, more recently, parallel processing techniques are playing an increasingly vital role in rendering the algorithms which arise in relativistic studies tractable. This has been exemplified in atomic structure theory, where the dominant role of the central nuclear charge simplifies the problem enough to permit some prediction to be made with high precision, especially for the highly ionized atoms of importance in plasma physics and in laser confinement studies. Today's sophisticated physical models of the atom derived from quantum electrodynamics would be intractable without recourse to modern computational machinery. Relativistic atomic structure calculations have a history dating from the early attempts of Swirles in the mid 1930's but continue to provide one of the primary test beds of modern theoretical physics.
Relativistic and Electron Correlation Effects in Molecules and Solids
Title | Relativistic and Electron Correlation Effects in Molecules and Solids PDF eBook |
Author | G.L. Malli |
Publisher | Springer Science & Business Media |
Pages | 478 |
Release | 2013-11-21 |
Genre | Science |
ISBN | 1489913408 |
The NATO Advanced Study Institute (ASI) on "R@lativistic and Electron Correlation Effects in Molecules and Solids", co-sponsored by Simon Fraser University (SFU) and the Natural Sciences and Engineering Research Council of Canada (NSERC) was held Aug 10- 21, 1992 at the University of British Columbia (UBC), Vancouver, Canada. A total of 90 lecturers and students with backgrounds in Chemistry, Physics, Mathematics and various interdisciplinary subjects attended the ASI. In my proposal submitted to NATO for financial support for this ASI, I pointed out that a NATO ASI on the effects of relativity in many-electron systems was held ten years ago, [See G.L. Malli, (ed) Relativistic Effects in Atoms, Molecules and Solids, Plenum Press, Vol B87, New York, 1983]. Moreover, at a NATO Advanced Research Workshop (ARW) on advanced methods for molecular electronic structure "an assessment of state-of the-art of Electron Correlation ... " was carried out [see C.E. Dykstra, (ed), Advanced Theories and Computational Approaches to the Electronic Structure of Molecules, D. Reidel Publishin~ Company, Vol C133, Dordrecht, The Netherlands 1984]. However, during the last five years, it has become clear that the relativistic and electron correlation effects must be included in the theoretical treatment of many-electron molecules and solids of heavy elements (with Z > 70). Molecules and clusters containing heavy elements are of crucial importance in a number of areas of Chemistry and Physics such as nuclear fuels, catalysis, surface science, etc.
Relativistic Effects in Atoms Molecules and Solids
Title | Relativistic Effects in Atoms Molecules and Solids PDF eBook |
Author | GL Malli (ed) |
Publisher | |
Pages | |
Release | 1981 |
Genre | |
ISBN |
Relativistic Quantum Theory of Atoms and Molecules
Title | Relativistic Quantum Theory of Atoms and Molecules PDF eBook |
Author | Ian P Grant |
Publisher | Springer Science & Business Media |
Pages | 813 |
Release | 2007-04-15 |
Genre | Science |
ISBN | 0387350691 |
This book is intended for physicists and chemists who need to understand the theory of atomic and molecular structure and processes, and who wish to apply the theory to practical problems. As far as practicable, the book provides a self-contained account of the theory of relativistic atomic and molecular structure, based on the accepted formalism of bound-state Quantum Electrodynamics. The author was elected a Fellow of the Royal Society of London in 1992.
A Relativistic Treatment of Atoms and Molecules
Title | A Relativistic Treatment of Atoms and Molecules PDF eBook |
Author | Christian Thierfelder |
Publisher | Sudwestdeutscher Verlag Fur Hochschulschriften AG |
Pages | 0 |
Release | 2010-11 |
Genre | Quantum electrodynamics |
ISBN | 9783838122137 |
Relativistic quantum chemistry is the relativistic formulation of quantum mechanics applied to many-electron systems, that is to atoms, molecules and solids. It combines the principles of special relativity, which are obeyed by any fundamental physical theory, with the basic rules of quantum mechanics. By construction, it represents the most fundamental theory of all molecular sciences, which describes matter by the action, interaction and motion of the elementary particles. This science is of vital importance to physicists, chemists, material scientists, and biologists with a molecular view of the world. A full relativistic treatment of atoms and molecules which includes the quantization of the electromagnetic field is currently one of the most challenging tasks in electronic structure theory. Therefore, relativistic effects in atoms and molecules were studied computationally. A combination of wave function and density functional based methods within a correct relativistic framework proved necessary to achieve accurate results of various atomic and molecular properties.