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| Author | : S. Wilson |
| Publisher | : Courier Corporation |
| Total Pages | : 305 |
| Release | : 2007-05-11 |
| Genre | : Science |
| ISBN | : 0486458792 |
This text addresses one of theoretical chemistry's central problems. Topics include molecular electronic structure, independent electron models, electron correlation, the linked diagram theorem, and related topics. 1984 edition.
| Author | : Wilm Ernst Donath |
| Publisher | : |
| Total Pages | : 152 |
| Release | : 1958 |
| Genre | : Chemistry, Physical and theoretical |
| ISBN | : |
| Author | : Peter Fulde |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 492 |
| Release | : 2012-12-06 |
| Genre | : Science |
| ISBN | : 3642578098 |
Dieser Titel verbindet die Festkörpertheorie mit der Quantenchemie. Neue Konzepte der Vielteilchen-Verarbeitung und Korrelations-Effekte, normale quantenchemische Verfahren mit Projektionstechniken, Greensche Funktionen und Monte-Carlo-Methoden werden erarbeitet. Anwendungsbereiche der Molekültheorie, von Halbleitern, supraleitender high-Tc-Materialien, etc., werden vorgestellt.
| Author | : G.L. Malli |
| Publisher | : Springer Science & Business Media |
| Total 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.
| Author | : S. Wilson |
| Publisher | : Courier Corporation |
| Total Pages | : 305 |
| Release | : 2014-07-01 |
| Genre | : Science |
| ISBN | : 0486150224 |
Electron correlation effects are of vital significance to the calculation of potential energy curves and surfaces, the study of molecular excitation processes, and in the theory of electron-molecule scattering. This text describes methods for addressing one of theoretical chemistry's central problems, the study of electron correlation effects in molecules. Although the energy associated with electron correlation is a small fraction of the total energy of an atom or molecule, it is of the same order of magnitude as most energies of chemical interest. If the solution of quantum mechanical equations from first principles is to provide an accurate quantitative prediction, reliable techniques for the theoretical determination of the effect of electron correlation on molecular properties are therefore important. To that end, this text explores molecular electronic structure, independent electron models, electron correlation, the linked diagram theorem, group theoretical aspects, the algebraic approximation, and truncation of expansions for expectation values.
| Author | : J. Rychlewski |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 588 |
| Release | : 2003-11-30 |
| Genre | : Science |
| ISBN | : 9781402016745 |
Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance. The book covers a wide range of methods based on explicitly correlated functions written by leaders in the field, including Kutzelnigg, Jeziorski, Szalewicz, Klopper and Noga. The book begins with a chapter on the theory of electron correlation and then the following three chapters describe different types of functions that can be used to solve the electronic Schrödinger equation for atoms and molecules. The book goes on to discuss the effects that go beyond the Born-Oppenheimer approximation, theory of relativistic effects, solution of the Dirac-Colomb equation, and relativistic correction using ECG functions. The last part of the book reviews applications of EC functions to calculate atomic and molecular properties and to study positronic systems, resonance states of atoms and nuclear dynamics of the hydrogen molecular ion.
| Author | : Remi Chauvin |
| Publisher | : Springer |
| Total Pages | : 582 |
| Release | : 2016-04-19 |
| Genre | : Science |
| ISBN | : 3319290223 |
This is the first edited volume that features two important frameworks, Hückel and quantum chemical topological analyses. The contributors, which include an array of academics of international distinction, describe recent applications of such topological methods to various fields and topics that provide the reader with the current state-of-the-art and give a flavour of the wide range of their potentialities.
| Author | : Patrik Fazekas |
| Publisher | : World Scientific |
| Total Pages | : 794 |
| Release | : 1999 |
| Genre | : Science |
| ISBN | : 9810224745 |
Readership: Graduate students and researchers in condensed matter physics.
| Author | : Peter Fulde |
| Publisher | : World Scientific |
| Total Pages | : 550 |
| Release | : 2012-08-08 |
| Genre | : Science |
| ISBN | : 9814397229 |
An understanding of the effects of electronic correlations in quantum systems is one of the most challenging problems in physics, partly due to the relevance in modern high technology. Yet there exist hardly any books on the subject which try to give a comprehensive overview on the field covering insulators, semiconductors, as well as metals. The present book tries to fill that gap.It intends to provide graduate students and researchers a comprehensive survey of electron correlations, weak and strong, in insulators, semiconductors and metals. This topic is a central one in condensed matter and beyond that in theoretical physics. The reader will have a better understanding of the great progress which has been made in the field over the past few decades.
| Author | : Joseph J. Stephanos |
| Publisher | : Academic Press |
| Total Pages | : 764 |
| Release | : 2017-06-01 |
| Genre | : Science |
| ISBN | : 012811049X |
Electrons, Atoms, and Molecules in Inorganic Chemistry: A Worked Examples Approach builds from fundamental units into molecules, to provide the reader with a full understanding of inorganic chemistry concepts through worked examples and full color illustrations. The book uniquely discusses failures as well as research success stories. Worked problems include a variety of types of chemical and physical data, illustrating the interdependence of issues. This text contains a bibliography providing access to important review articles and papers of relevance, as well as summaries of leading articles and reviews at the end of each chapter so interested readers can readily consult the original literature. Suitable as a professional reference for researchers in a variety of fields, as well as course use and self-study. The book offers valuable information to fill an important gap in the field. - Incorporates questions and answers to assist readers in understanding a variety of problem types - Includes detailed explanations and developed practical approaches for solving real chemical problems - Includes a range of example levels, from classic and simple for basic concepts to complex questions for more sophisticated topics - Covers the full range of topics in inorganic chemistry: electrons and wave-particle duality, electrons in atoms, chemical binding, molecular symmetry, theories of bonding, valence bond theory, VSEPR theory, orbital hybridization, molecular orbital theory, crystal field theory, ligand field theory, electronic spectroscopy, vibrational and rotational spectroscopy
