| Description |
1 online resource |
|
text txt rdacontent |
|
computer c rdamedia |
|
online resource cr rdacarrier |
| Series |
Elsevier insights |
|
Elsevier insights.
|
| Bibliography |
Includes bibliographical references and index. |
| Note |
Online resource; title from PDF title page (EBSCO; viewed on February 27, 2015). |
| Contents |
Cover; Title Page; Copyright Page; Contents; Preface; Part One -- 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 rule1.2.5 -- 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; 1.2.8.1 -- Induced magnetic moment and the magnetic permeability. |
|
1.2.8.2 -- Transversal conductivity of a spatially inhomogeneous quantum system in a weak external electromagnetic field1.3 -- 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 method1.5.5 -- Prospects of applications of the ZT projection operator method to include finite and/or spatially inhomogeneous qua ... ; 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-degenerate 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 determinants2.2.5 -- 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. |
| Summary |
This is the only book on a novel fundamental method that uses quantum many body theoretical approach to synthesis of nanomaterials by design. This approach allows the first-principle prediction of transport properties of strongly spatially non-uniform systems, such as small QDs and molecules, where currently used DFT-based methods either fail, or have to use empirical parameters. The book discusses modified algorithms that allow mimicking experimental synthesis of novel nanomaterials--to compare the results with the theoretical predictions--and provides already developed electronic templates. |
| Subject |
Nanoelectromechanical systems.
|
|
Nanostructured materials -- Synthesis.
|
|
Many-body problem.
|
|
Nanosystèmes électromécaniques.
|
|
Nanomatériaux -- Synthèse.
|
|
Problème des N corps.
|
|
TECHNOLOGY & ENGINEERING -- Engineering (General)
|
|
TECHNOLOGY & ENGINEERING -- Reference.
|
|
Many-body problem
|
|
Nanoelectromechanical systems
|
| Other Form: |
Print version: 9780123969842 |
| ISBN |
9780123972897 (electronic bk.) |
|
0123972892 (electronic bk.) |
|
9780123969842 (hbk.) |
|
0123969840 |
| Standard No. |
AU@ 000054572736 |
|
AU@ 000058966792 |
|
CHBIS 010387229 |
|
CHBIS 010547556 |
|
CHVBK 333620941 |
|
CHVBK 341781436 |
|
DEBSZ 432103597 |
|
DEBSZ 434092428 |
|
DEBSZ 482373083 |
|
GBVCP 821207393 |
|
NZ1 15919483 |
|
UKMGB 016947793 |
|
UKMGB 017993472 |
|
