Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science

Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science

Author(s): Prof. Dr. Markus Reiher, Dr. Alexander Wolf

Published Online: 22 JUN 2009

Print ISBN: 9783527312924

Online ISBN: 9783527627486

DOI: 10.1002/9783527627486

About this Book

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.

Table of contents

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  1. Part I: Fundamentals

  2. Part II: Dirac's Theory of the Electron

  3. Part III: Four-Component Many-Electron Theory

  4. Part IV: Two-Component Hamiltonians

  5. Part V: Chemistry with Relativistic Hamiltonians

  6. Appendices

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