Many-Body Approach to Electronic Excitations: Concepts and Applications

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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(s): Friedhelm Bechstedt (auth.)
Series: Springer Series in Solid-State Sciences 181
Edition: 1
Publisher: Springer-Verlag Berlin Heidelberg
Year: 2015

Language: English
Pages: 584
Tags: Spectroscopy and Microscopy; Solid State Physics; Optics and Electrodynamics; Microwaves, RF and Optical Engineering; Numerical and Computational Physics

Front Matter....Pages i-xxxi
Front Matter....Pages 1-1
Born-Oppenheimer Approximation....Pages 3-11
Hamiltonian of Interacting Electrons....Pages 13-27
Exchange and Correlation....Pages 29-47
Hartree-Fock Approximation....Pages 49-70
Front Matter....Pages 71-71
Density Functional Theory....Pages 73-88
Kohn-Sham Scheme....Pages 89-104
Exchange-Correlation Functionals....Pages 105-127
Energies and Forces....Pages 129-161
Non-local Exchange and Correlation....Pages 163-195
Front Matter....Pages 197-197
Description of Electron Ensemble....Pages 199-208
Thermodynamic Green Functions....Pages 209-230
Set of Fundamental Equations....Pages 231-253
Density Correlation and Electronic Polarization....Pages 255-286
Self-energy....Pages 287-325
Model GW Studies....Pages 327-350
Quasiparticle Electronic Structures....Pages 351-393
Satellites....Pages 395-415
Front Matter....Pages 417-417
Bethe-Salpeter Equations for Response Functions....Pages 419-438
Electron-Hole Problem....Pages 439-457
Optical Properties....Pages 459-497
Front Matter....Pages 417-417
Excitons....Pages 499-538
Beyond Static Screening....Pages 539-572
Back Matter....Pages 573-584