Density functional theory. An advanced course. (Q986048): Difference between revisions

The present book is a sequel to the monograph [\textit{R. M. Dreizler} and \textit{E. K. U. Gross}, Density functional theory. An approach to the quantum many-body problem. Berlin etc.: Springer-Verlag (1990; Zbl 0723.70002)] and review articles [\textit{E. Engel}, ``Relativistic density functional theory: Foundations and basic formalism'', in: P. Schwerdtfeger (ed.), Relativistic electronic structure theory. Part 1. Fundamentals. Amsterdam: Elsevier. 523--621 (2002)] and [\textit{E. Engel} and \textit{R. M. Dreizler}, ``Relativistic density functional theory'', in: R. F. Nalewajski (ed.), Density functional theory II. Topics in Current Chemistry, Vol. 181. Berlin: Springer. 1--80 (1996)] on diverse aspects of density functional theory (DFT). It provides a good introduction to up-to-date methods of DFT and covers almost all the basic approaches used in this theory from the early Thomas-Fermi theory to the contemporary orbital-dependent functional techniques, time-dependent and relativistic DFTs. The authors start with the mathematical foundations of DFT regarding such subtle questions like a \(\nu\)-representability of the ground state density and differentiability of the energy functional in nonrelativistic DFT, and carry the reader to an exhaustive comparison of theoretical results with modern experimental data. This comparison illustrates strengths and weaknesses of formally exact DFT within a particular approximation or functional. The book is remarkable for a down-to-earth exposition of DFT that makes it accessible for students specialized in different fields of theoretical physics. All the major formulas presented here are derived in the main text or their derivation is relegated to appendices. In case of some omissions, which are, of course, necessary to keep the volume of the material under control, the reader can reconstruct the calculations relying on the original works referenced in the book. DFT for superconducting or nuclear and hadronic systems is not addressed in the present book. The structure and material contained in the book allow for a tutorial and modular self-study approach: the reader finds that all the basic concepts of quantum many-body theory -- such as Green's and response functions, the Fermi surface etc. -- are introduced step by step rather than just used. The book may be useful both for beginners as an introduction to DFT and for specialists who would like to expand their view on rigorous foundations of this theory and to keep an eye on the cutting edge of computational methods in condense matter physics.