{"product_id":"density-functional-theory-a-practical-introduction","title":"Density Functional Theory","description":"\u003cb\u003eDensity Functional Theory\u003c\/b\u003e \u003cp\u003e\u003cb\u003eA concise and rigorous introduction to the applications of DFT calculations\u003c\/b\u003e \u003c\/p\u003e\u003cp\u003eIn the newly revised second edition of \u003ci\u003eDensity Functional Theory: A Practical Introduction\u003c\/i\u003e, 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. \u003c\/p\u003e\u003cp\u003eThis new edition: \u003c\/p\u003e\u003cul\u003e\n\u003cli\u003e Discusses in more detail the accuracy of DFT calculations and the choice of functionals\u003c\/li\u003e\n\u003cli\u003e Adds an overview of the wide range of available DFT codes\u003c\/li\u003e\n\u003cli\u003e Contains more examples on the use of DFT for high throughput materials calculations\u003c\/li\u003e\n\u003cli\u003e Puts more emphasis on computing phase diagrams and on open ensemble methods widely used in electrochemistry\u003c\/li\u003e\n\u003cli\u003e Is significantly extended to cover calculation beyond standard DFT, e.g., dispersion-corrected DFT, DFT+U, time-dependent DFT\u003c\/li\u003e\n\u003c\/ul\u003e \u003cp\u003ePerfect for graduate students and postdoctoral candidates in physics and engineering, \u003ci\u003eDensity Functional Theory: A Practical Introduction\u003c\/i\u003e will also earn a place in the libraries of researchers and practitioners in chemistry, materials science, and mechanical engineering.\u003c\/p\u003e","brand":"John Wiley \u0026 Sons Inc","offers":[{"title":"Default Title","offer_id":49723995652440,"sku":"9781119840862","price":106.99,"currency_code":"EUR","in_stock":true}],"url":"https:\/\/agendabookshop.com\/products\/density-functional-theory-a-practical-introduction","provider":"Agenda Bookshop","version":"1.0","type":"link"}