{"product_id":"density-functional-theory-hrsg-von-roshan-thotagamuge","title":"Density Functional Theory","description":"\n                                \n                \u003cp\u003e\n                                        This book provides an accessible and comprehensive introduction to \n                    \n                    \u003cstrong\u003eDensity Functional Theory (DFT)\u003c\/strong\u003e\n                                         and its applications in \n                    \n                    \u003cstrong\u003ematerials science\u003c\/strong\u003e\n                                        , with a particular focus on undergraduate students and early-stage researchers. It introduces the fundamental principles of quantum mechanics that underpin DFT, followed by the theoretical development of the method and its practical implementation in computational materials science. The book covers key topics such as the \n                    \n                    \u003cstrong\u003eHohenberg–Kohn theorems\u003c\/strong\u003e\n                                        , \n                    \n                    \u003cstrong\u003eKohn–Sham equations\u003c\/strong\u003e\n                                        , exchange–correlation functionals, and practical approaches to performing DFT calculations using widely used computational tools. In addition to the theoretical framework, it highlights important applications of DFT in \n                    \n                    \u003cstrong\u003esolid-state physics, surface science, nanomaterials, and material defects\u003c\/strong\u003e\n                                        . Designed for students in \n                    \n                    \u003cstrong\u003ephysics, chemistry, materials science, and related disciplines\u003c\/strong\u003e\n                                        , this book bridges the gap between theory and practice by explaining complex concepts in a clear and structured manner while providing guidance on applying DFT to solve real-world materials problems. It will also serve as a useful reference for researchers beginning their work in \n                    \n                    \u003cstrong\u003ecomputational materials modeling and molecular simulations\u003c\/strong\u003e\n                                        .\n                \n                \u003c\/p\u003e\n                            \n            \u003cdiv class=\"aw-variant-hidden-subtitle-div\" id=\"aw-variant-subtitle-9789819597444\"\u003e\u003ch3\u003eFoundations and Applications in Material Science\u003c\/h3\u003e\u003c\/div\u003e","brand":"Autorenwelt Shop","offers":[{"title":"Hardcover - 9789819597444","offer_id":58742978314565,"sku":"9789819597444","price":139.09,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0940\/0622\/files\/73461_42376e29-24f3-4773-b321-c33170765052.jpg?v=1787286116","url":"https:\/\/shop.autorenwelt.de\/en\/products\/density-functional-theory-hrsg-von-roshan-thotagamuge","provider":"Autorenwelt Shop","version":"1.0","type":"link"}