<b>Density Functional Theory</b> <p><b>A concise and rigorous introduction to the applications of DFT calculations</b> <p>In the newly revised second edition of <i>Density Functional Theory: A Practical Introduction</i>, the authors deliver a concise and easy-to-follow introduction to the key concepts and practical applications of density functional theory (DFT) with an emphasis on plane-wave DFT. The authors draw on decades of experience in the field, offering students from a variety of backgrounds a balanced approach between accessibility and rigor, creating a text that is highly digestible in its entirety. <p>This new edition: <ul><li> Discusses in more detail the accuracy of DFT calculations and the choice of functionals</li> <li> Adds an overview of the wide range of available DFT codes</li> <li> Contains more examples on the use of DFT for high throughput materials calculations</li> <li> Puts more emphasis on computing phase diagrams and on open ensemble methods widely used in electrochemistry</li> <li> Is significantly extended to cover calculation beyond standard DFT, e.g., dispersion-corrected DFT, DFT+U, time-dependent DFT</li></ul> <p>Perfect for graduate students and postdoctoral candidates in physics and engineering, <i>Density Functional Theory: A Practical Introduction</i> will also earn a place in the libraries of researchers and practitioners in chemistry, materials science, and mechanical engineering.
