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Topics in many-particle quantum systems. / 多體量子系統問題 / Topics in many-particle quantum systems. / Duo ti liang zi xi tong wen ti

Lo Loc Ping = 多體量子系統問題 / 盧樂平. / Thesis submitted in: October 2004. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2005. / Includes bibliographical references (leaves 168-171). / Text in English; abstracts in English and Chinese. / Lo Loc Ping = Duo ti liang zi xi tong wen ti / Lu Leping. / Abstract --- p.i / 摘要 --- p.ii / Acknowledgment --- p.iii / Chapter I --- Computational Quantum Mechanics and Its Applications 電算量子力學及其應用 --- p.1 / Chapter 1 --- An Overview of Quantum Mechanics and Some Important Tools of Theory --- p.2 / Chapter 1.1 --- The Schrodinger Equation --- p.2 / Chapter 1.2 --- The Variational Method --- p.4 / Chapter 1.2.1 --- Rayleigh-Ritz Approach --- p.4 / Chapter 1.2.2 --- Linear Variation --- p.5 / Chapter 2 --- Theoretical Methodology of Electronic Structures: Ab Initio Molecular Orbital Theory --- p.7 / Chapter 2.1 --- The Molecular Hamiltonian --- p.7 / Chapter 2.2 --- Hartree Description and Linear Combination of Atomic Orbitals Expan- sion --- p.8 / Chapter 2.3 --- Slater Determinant and the Pauli Exclusion Principle --- p.9 / Chapter 2.4 --- The Expansion of E in Terms of Integrals over MOs --- p.11 / Chapter 2.5 --- Derivation of the Hartree´ؤFock Equations --- p.15 / Chapter 2.6 --- The Self-Consistent Field Calculation --- p.18 / Chapter 2.7 --- Koopmans' Theorem --- p.19 / Chapter 2.8 --- Orbital and the Total SCF Electronic Energy --- p.20 / Chapter 2.9 --- AO Basic Sets --- p.21 / Chapter 2.9.1 --- Slater-Type Orbitals --- p.21 / Chapter 2.9.2 --- Gaussian Functions --- p.22 / Chapter 2.10 --- The Hartree-Fock Limit --- p.23 / Chapter 2.11 --- Electron Correlation --- p.23 / Chapter 2.11.1 --- Weakness in the Single Determinant Model --- p.23 / Chapter 2.11.2 --- Configuration Interaction --- p.24 / Chapter 2.11.3 --- The Coupled-Cluster Method --- p.25 / Chapter 2.11.4 --- Density Functional Theory --- p.26 / Chapter 2.12 --- Frontier Orbitals --- p.31 / Chapter 3 --- Theoretical Investigation of the Interaction between Metal and Tris(8- hydroxyquinoline) aluminum in Organic Light Emitting Diodes --- p.32 / Chapter 3.1 --- Organic Light Emitting Diodes and Tris(8-hydro-xyquinoline) aluminum --- p.32 / Chapter 3.2 --- Computational Methodology --- p.33 / Chapter 3.3 --- Alq3 --- p.34 / Chapter 3.3.1 --- Molecular Structure --- p.34 / Chapter 3.3.2 --- Electronic Structure --- p.36 / Chapter 3.3.3 --- Transition and Relaxation Energies --- p.44 / Chapter 3.3.4 --- Interactions with Metals --- p.45 / Chapter 3.4 --- "Li-Alq3, Na-Alq3 and K-Alq3 Complexes" --- p.46 / Chapter 3.4.1 --- Molecular Structure --- p.46 / Chapter 3.4.2 --- Ground-State Electronic Structure --- p.55 / Chapter 3.4.3 --- Transition and Relaxation Energies --- p.67 / Chapter 3.5 --- "Be-Alq3, Mg´ؤAlq3 and Ca´ؤAlq3 Complexes" --- p.68 / Chapter 3.5.1 --- Molecular Structure --- p.68 / Chapter 3.5.2 --- Ground-State Electronic Structure --- p.76 / Chapter 3.5.3 --- Transition and Relaxation Energies --- p.87 / Chapter 3.6 --- "B-Alq3, Al-Alq3 and Ga-Alq3 Complexes" --- p.87 / Chapter 3.6.1 --- Molecular Structure --- p.87 / Chapter 3.6.2 --- Ground-State Electronic Structure --- p.95 / Chapter 3.6.3 --- Transition and Relaxation Energies --- p.106 / Chapter II --- Analytical Studies of Polarons and the Electron-Phonon Interaction 極子與電子一聲子相互作用的 解析研究 --- p.107 / Chapter 4 --- Optimal Coupled-Cluster Approximation of the Ground-State Energy of the E× (α1 + α1) Jahn-Teller System --- p.108 / Chapter 4.1 --- The Jahn-Teller Effect --- p.108 / Chapter 4.2 --- Approximation in the Coupled-Cluster Method and the Jahn-Teller Hamiltonian --- p.110 / Chapter 4.3 --- Variational Coupled-Cluster Approximation --- p.112 / Chapter 4.3.1 --- The Zeroth Level --- p.113 / Chapter 4.3.2 --- The First Level --- p.113 / Chapter 4.3.3 --- The Second and the Third Levels --- p.114 / Chapter 4.4 --- An 'Optimal' Hamiltonian --- p.115 / Chapter 4.5 --- Treatment for the k> 1 Case --- p.117 / Chapter 4.6 --- Energies and Other Physical Phenomena --- p.118 / Chapter 5 --- Small-to-Large Ground-State Polaron Crossover in One-Dimension Extended E×e Jahn-Teller System Using Variational Coupled-Cluster Approximation --- p.134 / Chapter 5.1 --- Polaron Formation --- p.134 / Chapter 5.2 --- Model Hamiltonian and the MLF Transformation --- p.135 / Chapter 5.3 --- Variatonal Coupled-Cluster Approximation --- p.137 / Chapter 5.3.1 --- Zeorth Level --- p.139 / Chapter 5.3.2 --- First Level --- p.139 / Chapter 5.3.3 --- Second Level --- p.142 / Chapter 5.4 --- Energies and Static Correlation Functions --- p.142 / Chapter 5.5 --- Approximate Form of the MLF Transformation for K = 0 --- p.153 / Chapter 5.5.1 --- Zeroth Level --- p.154 / Chapter 5.5.2 --- First Level --- p.155 / Chapter 5.5.3 --- Second Level --- p.156 / Chapter 5.5.4 --- Energies and Static Correlation Functions --- p.157 / Chapter 5.6 --- Synopsis --- p.167 / Bibliography --- p.171

Identiferoai:union.ndltd.org:cuhk.edu.hk/oai:cuhk-dr:cuhk_325461
Date January 2005
ContributorsLo, Loc Ping., Chinese University of Hong Kong Graduate School. Division of Physics.
Source SetsThe Chinese University of Hong Kong
LanguageEnglish, Chinese
Detected LanguageEnglish
TypeText, bibliography
Formatprint, xiv, 171 leaves : ill. (some col.) ; 30 cm.
RightsUse of this resource is governed by the terms and conditions of the Creative Commons “Attribution-NonCommercial-NoDerivatives 4.0 International” License (http://creativecommons.org/licenses/by-nc-nd/4.0/)

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