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Edition: | First edition. |
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Imprint: | Amsterdam : Academic Press, 2015. |
Description: | xv, 351 pages, [12] pages of color plates : illustrations (some color), 24 cm |
Language: | English |
Series: | Advances in botanical research, 0065-2296 ; v. 74 Advances in botanical research ; v. 74. |
Subject: | |
Format: | E-Resource Book |
URL for this record: | http://pi.lib.uchicago.edu/1001/cat/bib/12588313 |
Table of Contents:
- Preface
- Part 1. Quantum Statistical Mechanics Fundamentals
- 1. Transport Properties of Spatially Inhomogeneous Quantum Systems From the First Principles
- 1.1. Introduction
- 1.2. Charge and spin transport in spatially inhomogeneous quantum systems
- 1.2.1. Expectation values of the charge and current densities
- 1.2.2. Space-time Fourier transforms of the expectation values of the charge and current densities
- 1.2.3. Space-time Fourier transforms of the generalized susceptibility and microcurrent-microcurrent EGFs
- 1.2.4. Generalized longitudinal sum rule
- 1.2.5. Dielectric permittivity of a spatially inhomogeneous quantum system in a weak external electromagnetic field
- 1.2.6. Generalized susceptibility of a spatially inhomogeneous quantum system in a weak external electromagnetic field
- 1.2.7. Longitudinal quantum conductivity of a spatially inhomogeneous system in a weak external electromagnetic field
- 1.2.8. Transversal conductivity of a spatially inhomogeneous quantum system in a weak external electromagnetic field
- 1.3. Optical properties: the tensor of refractive indices
- 1.4. Calculation of equilibrium Green's functions
- 1.5. Zubarev-Tserkovnikov's pojection operator method
- 1.5.1. Definitions and the major properties of two-time temperature GFs used in statistical physics
- 1.5.2. ZT projection operator method: energy-dependent representation
- 1.5.3. ZT projection operator method: time-dependent representation
- 1.5.4. Advantages and shortcomings of the ZT projection operator method
- 1.5.5. Prospects of applications of the ZT projection operator method to include finite and/or spatially inhomogeneous quantum systems
- References
- 2. Quantum Properties of Small Systems at Equilibrium: First Principle Calculations
- 2.1. Introduction
- 2.2. Variational methods
- 2.2.1. The variation theorem and extended variation method
- 2.2.2. Non-degenerale perturbation theory and the variation-perturbation method
- 2.2.3. Perturbation theory treatment of degenerate energy levels
- 2.2.4. Spin components of wavefunctions and the Slater determinants
- 2.2.5. Variation modification of the Slater determinants
- 2.3. The Hartree-Fock self-consistent field method
- 2.3.1. The Hartree self-consistent field method
- 2.3.2. The Hartree-Fock SCF method for molecules
- 2.3.3. The matrix elements of the Fock operator and calculation of physically meaningful quantities
- 2.4. Configuration interactions
- 2.5. The Møller-Plesset (MP) perturbation theory
- 2.6. The coupled-cluster approximation
- 2.7. Basis function sets
- 2.8. Ab initio software packages and their use
- 2.9. The virtual synthesis method
- References
- Part 2. Applications: Electronic Structure of Small Systems at Equilibrium
- 3. Quantum Dots of Traditional III-V Semiconductor Compounds
- 3.1. Introduction
- 3.2. Virtual synthesis setup
- 3.3. The smallest 3D molecule of In and As atoms
- 3.4. Pre-designed and vacuum In 10 As 4 molecules
- 3.5. "Artificial" molecules [In 10 As 4 ] Ga
- 3.6. Ga 10 As 4 molecules
- 3.7. Spin density distributions of the studied molecules
- 3.8. Electron charge delocalization and bonding in the studied molecules
- 3.9. Conclusions
- References
- 4. Quantum Dots of Gallium and Indium Arsenide Phosphides: Opto-electronic Properties, Spin Polarization and a Composition Effect of Quantum Confinement
- 4.1. Introduction
- 4.2. Virtual synthesis procedure
- 4.3. Ga-As molecules with one and two phosphorus atoms
- 4.4. In - As molecules with one and two atoms of phosphorus
- 4.5. More about composition effects of quantum confinement: small molecules of In-As-based phosphides "imbedded" into a model Ga-As confinement
- 4.6. Conclusions
- References
- 5. Quantum Dots of Diluted Magnetic Semiconductor Compounds
- 5.1. Introduction
- 5.2. Virtual synthesis of small quantum dots of diluted magnetic semiconductor compounds
- 5.3. Pre-designed and vacuum In 10 As 3 Mn molecules
- 5.4. Pre-designed and vacuum In 10 As 3 V molecules
- 5.5. Ga 10 As 3 V molecules with one vanadium atom
- 5.6. InAs - and GaAs - based molecules with two vanadium atoms
- 5.7. Conclusions
- References
- 6. Quantum Dots of Indium Nitrides
- 6.1. Introduction
- 6.2. Virtual synthesis of small indium nitride QDs
- 6.3. Pyramidal InAs-based molecules with one nitrogen atom
- 6.4. Pyramidal InAs-based molecules with two nitrogen atoms
- 6.5. Pyramidal molecules In 10 N 4
- 6.6. Hexagonal molecules In 6 N 6
- 6.7. Conclusions
- References
- 7. Nickel Oxide Quantum Dots and Nanopolymer Quantum Wires
- 7.1. Introduction
- 7.2. Molecules derived fromNi 2 O cluster
- 7.3. Molecules derived from Ni 2 O 2 cluster
- 7.4. Quantum dots derived from larger Ni-O clusters
- 7.5. Ni-O nanopolymer quantum wires
- 7.6. Discussion and conclusions
- References
- 8. Quantum Dots of Indium Nitrides with Special Magneto-Optic Properties
- 8.1. Introduction
- 8.2. Virtual synthesis procedure for small indium nitride QDs doped with Ni or Co atoms
- 8.3. Ni-doped molecules derived from unconstrained In 10 As 2 N 2 molecule
- 8.4. Ni-doped molecules derived from the pre-designed In 10 N 4 molecule
- 8.5. Co-doped In-As-N and In-N molecules
- 8.6. Conclusions
- References
- Appendix: Examples of Virtual Templates of Small Quantum Dots and Wires of Semiconductor Compound Elements
- Index