Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science

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John Wiley & Sons, 13. 5. 2009 - 690 strán (strany)
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Written by two researchers in the field, this book is a reference to explain the principles and fundamentals in a self-contained, complete and consistent way. Much attention is paid to the didactical value, with the chapters interconnected and based on each other. From the contents:
* Fundamentals
* Relativistic Theory of a Free Electron: Dirac?s Equation
* Dirac Theory of a Single Electron in a Central Potential
* Many-Electron Theory I: Quantum Electrodynamics
* Many-Electron Theory II: Dirac-Hartree-Fock Theory
* Elimination of the Small Component
* Unitary Transformation Schemes
* Relativistic Density Functional Theory
* Physical Observables and Molecular Properties
* Interpretive Approach to Relativistic Quantum Chemistry
From beginning to end, the authors deduce all the concepts and rules, such that readers are able to understand the fundamentals and principles behind the theory. Essential reading for theoretical chemists and physicists.

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1 Introduction
Part I Fundamentals
Part II Diracs Theory of the Electron
Part III FourComponent ManyElectron Theory
Part IV TwoComponent Hamiltonians
Part V Chemistry with Relativistic Hamiltonians
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O tomto autorovi (2009)

Prof. Dr. Markus Reiher obtained his PhD in Theoretical Chemistry in 1998, working in the group of Juergen Hinze at the University of Bielefeld. Since this time he has been working in relativistic many-electron theory. He completed his habilitation in Theoretical Chemistry at the University of Erlangen-Nuremberg in the group of Bernd Artur Hess in 2002. From 2003 to 2005, he was lecturer at the University of Bonn and then moved to the University of Jena as Professor for Physical Chemistry in 2005. Since the beginning of 2006 he has been Professor for Theoretical Chemistry at ETH Zurich. Markus Reiher's research interests are diverse and cover many topics in molecular physics and chemistry. His work has been awarded different prizes.

Dr. Alexander Wolf studied physics at the University of Erlangen-Nuremberg and Imperial College, London. In 2004, he earned his PhD in Theoretical Chemistry working with Bernd Artur Hess in Erlangen. His PhD thesis elaborated on the generalized Douglas-Kroll-Hess transformation and efficient decoupling schemes for the Dirac Hamiltonian. Afterwards he worked as as postdoc in the group of Markus Reiher at the universities of Bonn (2004) and Jena (2005). His main research interest is relativistic quantum chemsitry and, in particular, two-component Hamiltonians. Since 2006 he has been engaged in financial risk management for various consultancies.

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