Synopses & Reviews
The subject of this book is the application of the second quantized approach to quantum chemistry. Second quantization is an alternative tool for dealing with many-electron theory. The vast majority of quantum chemical problems are more easily treated using second quantization as a language. This book offers a simple and pedagogical presentation of the theory and some applications. The reader is not supposed to be trained in higher mathematics, though familiarity with elementary quantum mechanics and quantum chemistry is assumed. Besides the basic formalism and standard illustrative applications, some recent topics of quantum chemistry are reviewed in some detail. This book bridges the gap between sophisticated quantum theory and practical quantum chemistry.
Table of Contents
Contents: Introduction.- Concept of Creation and Annihilation Operators.- Particle Number Operators.- Second Quantized Representation of Quantum Mechanical Operators.- Evaluation of Matrix Elements.- Advantages of Second Quantization.- Illustrative Examples.- Density Matrices.- Connection to "Bra and Ket" Formalism.- Using Spatial Orbitals.- Some Model Hamiltonians in Second Quantized Form.- The Brillouin Theorem.- Many-Body Perturbation Theory.- Second Quantization for Nonorthogonal Orbitals.- Second Quantization and Hellmann-Feynman Theorem.- Intermolecular Interactions.- Quasiparticle Transformations. Miscellaneous Topics Related to Second Quantization.- Problem Solutions.- References.- Index.