Density Functional Theory

The application of density functional theory (DFT) calculations has become a standard tool" for diverse materials modeling problems in physics, chemistry, materials science, and multiple branches of engineering. Consequently, newcomers to these methodsneed a concise introduction to rapidly learn the tools that allow them to actually perform calculations that are now routine in the fields listed above and to remain up to date with the new developments in DFT The textbook offers a concise, easy-to-follow introduction to the key concepts and practical applications of density functional theory (DFT), focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds, including physics, chemistryand materials science. The new edition retains the successful concept of the first edition by striking a balance between brevity and detail, making it possible for the readers to digest the text in its entirety."--