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Second Quantization-Based Methods in Quantum Chemistry.

Author: Poul Joergensen
Publisher: Oxford : Elsevier Science, 1981.
Edition/Format:   eBook : Document : EnglishView all editions and formats
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Second Quantization-Based Methods in Quantum Chemistry.
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Genre/Form: Electronic books
Additional Physical Format: Print version:
Joergensen, Poul.
Second Quantization-Based Methods in Quantum Chemistry.
Oxford : Elsevier Science, ©1981
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Poul Joergensen
ISBN: 9780323141093 0323141099
OCLC Number: 831116671
Description: 1 online resource (185 pages)
Contents: Front Cover; Second Quantization-Based Methods in Quantum Chemistry; Copyright Page; Table of Contents; Preface; List of Abbreviations; Chapter 1. Introduction to Second-Quantization Methods; A. Anticommutation Properties of Creation and Annihilation Operators; B. Expressing Quantum-Mechanical Operators in Second Quantization; C. Tensor Operators; D. Unitary Transformations of Orbitals; Problems; Solutions; References; Chapter 2. Energy and Wavefunction Optimization Methods; A. Introduction; B. Multiconfigurational Self-Consistent Field; C. Single-Configuration Self-Consistent Field Methods. D. Configuration Interaction MethodProblems; Solutions; References; Chapter 3. Perturbation Theory; A. Introduction; B. Derivation of General Energy and Wavefunction Expressions; C. Size Consistency Problem in the Energy; D. Moller-Plesset Perturbation Theory for Energy; E. The Perturbed Wavefunction; F. Moller-Plesset Wavefunction; G. Many-Body Perturbation Theory; Problems; Solutions; References; Chapter 4. The Coupled-Cluster Method; A. Introduction; B. Form of the Wavefunction; C. Equations for the Cluster Amplitudes; D. Hartree-Fock Orbitals and T =T2. E. Perturbative Solution to the Coupled-Cluster EquationsF. Newton-Raphson Method; G. Summary; Problems; Solutions; References; Chapter 5. Physical Properties; A. Classes of Properties; B. MCSCF Treatment of Response; C. CI Response Properties; D. The Hellmann-Feynman Theorem; E. The Coupled-Cluster Response Properties; F. Perturbative Calculation of Response Properties; G. Molecular Gradients and Force Constants; Problems; Solutions; References; Chapter 6. Green's Functions; A. Introduction; B. Superoperator Algebra; C. Approximation Methods; D. The Electron Propagator. E. The Polarization PropagatorProblems; Solutions; References; Index.

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Second Quantization-Based Methods in Quantum Chemistry.

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