The embedding method for electronic structure

DOI10.1088/978-0-7503-1042-0MaRDI QIDQ2796915zbMATH OpenOpenAlexFDO

Authors John E. Inglesfield

Publication date 30 March 2016

Published in IOP Expanding Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1088/978-0-7503-1042-0

zbMATH Keywords

electronic structureembedding methodmolecular electronicsphysics of nanostructuresplasmonics

Mathematics Subject Classification ID

Physics (00A79) Variational principles of physics (49S05) Research exposition (monographs, survey articles) pertaining to optics and electromagnetic theory (78-02) Electromagnetic theory (general) (78A25) Other elementary particle theory in quantum theory (81V25)

Review text

This book is concerned with the study of the embedding method, which is a powerful theoretical and computational technique with relevant applications to several technologically and scientifically important problems. These applications include models in surface and interface electronic structure, adsorption, physics of nanostructures, molecular electronics, plasmonics and photonics, and time domain. Supplemented with demonstration programmes, code and examples, this book provides a thorough review of the method and would be an accessible starting point for graduate students or researchers wishing to understand and use the method.NEWLINENEWLINEThe content of this volume is divided into eleven chapters: 1. Introduction; 2. The variational embedding method; 3. Embedding at surfaces; 4. Electrons at surfaces; 5. Confined electrons and embedding; 6. Tight-binding and the embedding self-energy; 7. Electron transport; 8. Relativistic embedding; 9. Embedding in electromagnetism; 10. Time-dependent embedding; 11. Connections.NEWLINENEWLINEThis volume is mainly addressed to researchers working in the fields of electronic structure and photonics.

Recommendations

• Embedding at surfaces
• Electronic Structure
• Electronic Structure
• Full-potential electronic structure method. Energy and force calculations with density functional and dynamical mean field theory
• Electronic Structure Calculations for Solids and Molecules

Cited in

(3)

• Chapter 11: Orbital-free embedding calculations of electronic spectra
• Projection-based embedding theory for solving Kohn-Sham density functional theory
• Embedding at surfaces

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