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First Principles Approaches to Spectroscopic Properties of Complex Materials

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  • © 2014

Overview

Editors:
  1. Cristiana Di Valentin

    1. Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, via Cozzi 55 20125, Italy

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  2. Silvana Botti

    1. UMR5306 Université Lyon 1-CNRS Université Lyon, Institut Lumière Matière and ETSF, Villeurbanne, France

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  3. Matteo Cococcioni

    1. Éole polytechnique fédérale de Lausanne, Institute of Materials, Lausanne, Switzerland

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  • This series presents critical reviews of the present position and future trends in modern chemical research
  • Short and concise reports on chemistry, each written by the world renowned experts
  • Still valid and useful after 5 or 10 years
  • More information as well as the electronic version of the whole content available at: springerlink.com

Part of the book series: Topics in Current Chemistry (TOPCURRCHEM, volume 347)

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Table of contents (9 chapters)

  1. Front Matter

    Pages i-xii
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  2. Electronic and Optical Properties of Dye-Sensitized TiO2 Interfaces

    • Mariachiara Pastore, Annabella Selloni, Simona Fantacci, Filippo De Angelis
    Pages 1-45

  3. Status in Calculating Electronic Excited States in Transition Metal Oxides from First Principles

    • Leah Isseroff Bendavid, Emily Ann Carter
    Pages 47-98

  4. Quasiparticle Self-Consistent GW Method for the Spectral Properties of Complex Materials

    • Fabien Bruneval, Matteo Gatti
    Pages 99-135

  5. Gas-Phase Valence-Electron Photoemission Spectroscopy Using Density Functional Theory

    • Leeor Kronik, Stephan Kümmel
    Pages 137-191

  6. Piecewise Linearity and Spectroscopic Properties from Koopmans-Compliant Functionals

    • Ismaila Dabo, Andrea Ferretti, Nicola Marzari
    Pages 193-233

  7. Optical Response of Extended Systems Using Time-Dependent Density Functional Theory

    • S. Sharma, J. K. Dewhurst, E. K. U. Gross
    Pages 235-257

  8. Spin Excitations in Solids from Many-Body Perturbation Theory

    • Christoph Friedrich, Ersoy Şaşıoğlu, Mathias Müller, Arno Schindlmayr, Stefan Blügel
    Pages 259-301

  9. Dynamical Mean Field Theory-Based Electronic Structure Calculations for Correlated Materials

    • Silke Biermann
    Pages 303-345

  10. Probing Strongly Correlated Materials in Non-equilibrium: Basic Concepts and Possible Future Trends in First Principle Approaches

    • M. Hopjan, C. Verdozzi
    Pages 347-384

  11. Back Matter

    Pages 385-392
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About this book

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.

Reviews

“The editors present the book as an overview of state-of-the-art methods in computational spectroscopy, a guide to approximations and how to expand DFT predicting power, thus providing a scenario of expected evolution. … a special merit of the editors and of this collection of articles is the size and completeness of the chapters, each one enriched by monumental bibliographies, which makes this book extremely useful.” (Giorgio Benedek, Il Nuovo Saggiatore, en.sif.it, Vol. 31 (5-6), 2015)

Editors and Affiliations

  • Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, via Cozzi 55 20125, Italy

    Cristiana Di Valentin

  • UMR5306 Université Lyon 1-CNRS Université Lyon, Institut Lumière Matière and ETSF, Villeurbanne, France

    Silvana Botti

  • Éole polytechnique fédérale de Lausanne, Institute of Materials, Lausanne, Switzerland

    Matteo Cococcioni

Bibliographic Information

  • Book Title: First Principles Approaches to Spectroscopic Properties of Complex Materials

  • Editors: Cristiana Di Valentin, Silvana Botti, Matteo Cococcioni

  • Series Title: Topics in Current Chemistry

  • DOI: https://doi.org/10.1007/978-3-642-55068-3

  • Publisher: Springer Berlin, Heidelberg

  • eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)

  • Copyright Information: Springer-Verlag Berlin Heidelberg 2014

  • Hardcover ISBN: 978-3-642-55067-6Published: 09 October 2014

  • Softcover ISBN: 978-3-662-51178-7Published: 22 September 2016

  • eBook ISBN: 978-3-642-55068-3Published: 26 September 2014

  • Series ISSN: 0340-1022

  • Series E-ISSN: 1436-5049

  • Edition Number: 1

  • Number of Pages: XII, 392

  • Number of Illustrations: 25 b/w illustrations, 62 illustrations in colour

  • Topics: Materials Science, general

  • Industry Sectors: Chemical Manufacturing, Energy, Utilities & Environment

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