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Informationen zum Autor Walter Thiel studied chemistry at the University of Marburg (West Germany) from 1966 to 1971! where he subsequently obtained his doctorate with A. Schweig in 1973. After a post-doctoral stint at the University of Texas at Austin with M. J. S. Dewar (1973-1975)! he obtained his habilitation from the University of Marburg in 1981. He was appointed Professor of Theoretical Chemistry at the University of Wuppertal (West Germany) in 1983 and Professor of Chemistry at the University of Zurich (Switzerland) in 1992. In 1987 he was a visiting professor at the University of California at Berkeley. Since 1999! he is a director at the Max Planck Institute for Coal Research in Mulheim an der Ruhr (Germany) and an honorary professor at the neighbouring University of Dusseldorf (Germany) since 2001. Klappentext Computational Quantum Chemistry presents computational electronic structure theory as practiced in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the conventional chemistry education. This professional reference book provides a comprehensive guide to the field.Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five sections, each covering a major aspect of the field and with its own introduction. Molecular properties and relativistic effects are also discussed. An appendix describes software packages and website for further reading to enhance the knowledge gained from the book.Professor McDouall has more than 20 years experience in theoretical chemistry; as a reader at the University of Manchester his research interests include the application of quantum chemical methods to the elucidation of chemical problems and the development and implementation of electronic structure methods that permit the accurate prediction of chemical structures and molecular properties. Zusammenfassung Computational Quantum Chemistry presents computational electronic structure theory as practiced in terms of ab initio waveform methods and density functional approaches. Inhaltsverzeichnis Computational Quantum Chemistry; Computational Electronic Structure Theory: The Computation of Molecular Properties: Understanding Molecular Wavefunctions, Orbitals and Densities: Relativistic Effects and Electronic Structure Theory: Subject Index;...
