Many-Body Green’s Functions and the Bethe-Salpeter Equation in Chemistry: From Single Molecules to Complex Systems PDF Download
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Author: Bjoern Baumeier
Publisher: Frontiers Media SA
ISBN: 2832502288
Category : Science
Languages : en
Pages : 110
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Book Description
Author: Bjoern Baumeier
Publisher: Frontiers Media SA
ISBN: 2832502288
Category : Science
Languages : en
Pages : 110
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Book Description
Author: Wei Hu
Publisher: Frontiers Media SA
ISBN: 2889713008
Category : Science
Languages : en
Pages : 116
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Book Description
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Category : Nuclear energy
Languages : en
Pages : 1652
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Book Description
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Category : Aeronautics
Languages : en
Pages : 1330
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Book Description
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ISBN:
Category : Dissertations, Academic
Languages : en
Pages : 664
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Book Description
Author: Friedhelm Bechstedt
Publisher: Springer
ISBN: 366244593X
Category : Science
Languages : en
Pages : 596
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Book Description
The many-body-theoretical basis and applications of theoretical spectroscopy of condensed matter, e.g. crystals, nanosystems, and molecules are unified in one advanced text for readers from graduate students to active researchers in the field. The theory is developed from first principles including fully the electron-electron interaction and spin interactions. It is based on the many-body perturbation theory, a quantum-field-theoretical description, and Green's functions. The important expressions for ground states as well as electronic single-particle and pair excitations are explained. Based on single-particle and two-particle Green's functions, the Dyson and Bethe-Salpeter equations are derived. They are applied to calculate spectral and response functions. Important spectra are those which can be measured using photoemission/inverse photoemission, optical spectroscopy, and electron energy loss/inelastic X-ray spectroscopy. Important approximations are derived and discussed in the light of selected computational and experimental results. Some numerical implementations available in well-known computer codes are critically discussed. The book is divided into four parts: (i) In the first part the many-electron systems are described in the framework of the quantum-field theory. The electron spin and the spin-orbit interaction are taken into account. Sum rules are derived. (ii) The second part is mainly related to the ground state of electronic systems. The total energy is treated within the density functional theory. The most important approximations for exchange and correlation are delighted. (iii) The third part is essentially devoted to the description of charged electronic excitations such as electrons and holes. Central approximations as Hedin's GW and the T-matrix approximation are discussed.(iv) The fourth part is focused on response functions measured in optical and loss spectroscopies and neutral pair or collective excitations.
Author: Richard M. Martin
Publisher: Cambridge University Press
ISBN: 1316558568
Category : Science
Languages : en
Pages : 843
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Book Description
Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becoming essential tools vital for quantitative calculations and understanding materials phenomena in physics, chemistry, materials science and other fields. This book provides a unified exposition of the most-used tools: many-body perturbation theory, dynamical mean field theory and quantum Monte Carlo simulations. Each topic is introduced with a less technical overview for a broad readership, followed by in-depth descriptions and mathematical formulation. Practical guidelines, illustrations and exercises are chosen to enable readers to appreciate the complementary approaches, their relationships, and the advantages and disadvantages of each method. This book is designed for graduate students and researchers who want to use and understand these advanced computational tools, get a broad overview, and acquire a basis for participating in new developments.
Author: Carsten Ullrich
Publisher: Oxford University Press
ISBN: 0199563020
Category : Science
Languages : en
Pages : 541
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Book Description
Time-dependent density-functional theory (TDDFT) is a quantum mechanical approach for the dynamical properties of electrons in matter. It's widely used in (bio)chemistry and physics to calculate molecular excitation energies and optical properties of materials. This is the first graduate-level text on the formal framework and applications of TDDFT.
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Category : Physics
Languages : en
Pages : 1422
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Book Description
Author: Gianluca Stefanucci
Publisher: Cambridge University Press
ISBN: 1107354579
Category : Science
Languages : en
Pages : 619
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Book Description
The Green's function method is one of the most powerful and versatile formalisms in physics, and its nonequilibrium version has proved invaluable in many research fields. This book provides a unique, self-contained introduction to nonequilibrium many-body theory. Starting with basic quantum mechanics, the authors introduce the equilibrium and nonequilibrium Green's function formalisms within a unified framework called the contour formalism. The physical content of the contour Green's functions and the diagrammatic expansions are explained with a focus on the time-dependent aspect. Every result is derived step-by-step, critically discussed and then applied to different physical systems, ranging from molecules and nanostructures to metals and insulators. With an abundance of illustrative examples, this accessible book is ideal for graduate students and researchers who are interested in excited state properties of matter and nonequilibrium physics.
