Limit search to available items
Book Cover
E-book

Title First principles approaches to spectroscopic properties of complex materials / Cristiana Di Valentin, Silvana Botti, Matteo Cococcioni, editors ; with contributions by F. Angelis ... [and 23 others]
Published Berlin : Springer, [2014]

Copies

Description 1 online resource (xii, 392 pages) : illustrations (some color)
Series Topics in current chemistry ; 347
Topics in current chemistry ; 347. 0340-1022
Contents Electronic and optical properties of dye-sensitized TiO2 interfaces -- Status in calculating electronic exicted states in transition metal oxides from first principles -- Quasiparticle self-consistent GW method for the spectral properties of complex materials -- Gas-phase valence-electron photoemission spectroscopy using density functional theory -- Piecewise linearity and spectrscopic properties from Koopmans-complaint functionals -- Optical response of extended systems using time-dependent density functional theory -- Spin excitations in solids from many-body perturbation theory -- Dynamical mean field theory-based electronic structure calcuations for correlated materials. -- Probing strongly correlated materials in non-equilibrium: basic concepts and possible future trends in first principle aproaches
Summary The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students
Bibliography Includes bibliographical references
Notes English
Print version record
Subject Spectrum analysis.
Materials -- Spectra
Materials -- Spectra
Spectrum analysis
Form Electronic book
Author Di Valentin, Cristiana, editor
Botti, Silvana, editor
Cococcioni, Matteo, editor
ISBN 9783642550683
3642550681
3642550673
9783642550676