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Virtual synthesis of nanosystems by design : from first principles to applications /
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...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Amsterdam :
Elsevier,
[2015]
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| Colección: | Elsevier insights.
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| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 100 | 1 | |a Pozhar, Liudmila A., |e author. | |
| 245 | 1 | 0 | |a Virtual synthesis of nanosystems by design : |b from first principles to applications / |c by Liudmila A. Pozhar. |
| 264 | 1 | |a Amsterdam : |b Elsevier, |c [2015] | |
| 300 | |a 1 online resource | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 490 | 1 | |a Elsevier insights | |
| 504 | |a Includes bibliographical references and index. | ||
| 588 | 0 | |a Online resource; title from PDF title page (EBSCO; viewed on February 27, 2015). | |
| 505 | 0 | |a 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. | |
| 505 | 8 | |a 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. | |
| 505 | 8 | |a 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. | |
| 505 | 8 | |a 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. | |
| 505 | 8 | |a 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 M�ller-Plesset (MP) perturbation theory; 2.6 -- The coupled-cluster approximation; 2.7 -- Basis function sets; 2.8 -- Ab initio software packages and their use. | |
| 505 | 8 | |a 2.9 -- The virtual synthesis method. | |
| 520 | |a 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. | ||
| 650 | 0 | |a Nanoelectromechanical systems. | |
| 650 | 0 | |a Nanostructured materials |x Synthesis. | |
| 650 | 0 | |a Many-body problem. | |
| 650 | 6 | |a Nanosyst�emes �electrom�ecaniques. |0 (CaQQLa)000262359 | |
| 650 | 6 | |a Nanomat�eriaux |0 (CaQQLa)201-0258061 |x Synth�ese. |0 (CaQQLa)201-0377483 | |
| 650 | 6 | |a Probl�eme des N corps. |0 (CaQQLa)201-0066621 | |
| 650 | 7 | |a TECHNOLOGY & ENGINEERING |x Engineering (General) |2 bisacsh | |
| 650 | 7 | |a TECHNOLOGY & ENGINEERING |x Reference. |2 bisacsh | |
| 650 | 7 | |a Many-body problem. |2 fast |0 (OCoLC)fst01008543 | |
| 650 | 7 | |a Nanoelectromechanical systems. |2 fast |0 (OCoLC)fst01741807 | |
| 776 | 0 | 8 | |i Print version: |z 9780123969842 |
| 830 | 0 | |a Elsevier insights. | |
| 856 | 4 | 0 | |u https://sciencedirect.uam.elogim.com/science/book/9780123969842 |z Texto completo |