{"product_id":"density-functional-theory-roshan-thotagamuge-ebook","title":"Density Functional Theory","description":"\u003cp\u003e\u003cspan lang=\"EN-US\" style=\"font-size: 12.0pt; font-family: Aptos; mso-fareast-font-family: Calibri; mso-fareast-theme-font: minor-latin; mso-bidi-font-family: 'Times New Roman'; mso-ansi-language: EN-US; mso-fareast-language: EN-IN; mso-bidi-language: AR-SA;\"\u003eThis book provides an accessible and comprehensive introduction to \u003cstrong\u003e\u003cspan style=\"font-family: Aptos;\"\u003eDensity Functional Theory (DFT)\u003c\/span\u003e\u003c\/strong\u003e and its applications in \u003cstrong\u003e\u003cspan style=\"font-family: Aptos;\"\u003ematerials science\u003c\/span\u003e\u003c\/strong\u003e, 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 \u003cstrong\u003e\u003cspan style=\"font-family: Aptos;\"\u003eHohenberg–Kohn theorems\u003c\/span\u003e\u003c\/strong\u003e, \u003cstrong\u003e\u003cspan style=\"font-family: Aptos;\"\u003eKohn–Sham equations\u003c\/span\u003e\u003c\/strong\u003e, 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 \u003cstrong\u003e\u003cspan style=\"font-family: Aptos;\"\u003esolid-state physics, surface science, nanomaterials, and material defects\u003c\/span\u003e\u003c\/strong\u003e. Designed for students in \u003cstrong\u003e\u003cspan style=\"font-family: Aptos;\"\u003ephysics, chemistry, materials science, and related disciplines\u003c\/span\u003e\u003c\/strong\u003e, 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 \u003cstrong\u003e\u003cspan style=\"font-family: Aptos;\"\u003ecomputational materials modeling and molecular simulations\u003c\/span\u003e\u003c\/strong\u003e.\u003c\/span\u003e\u003c\/p\u003e","brand":"Roshan Thotagamuge","offers":[{"title":"Default Title","offer_id":54323682509127,"sku":"9789819597451","price":139.09,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0920\/5455\/2903\/files\/density-functional-theory-ebook-cover.webp?v=1783716008","url":"https:\/\/www.cinebuch.de\/products\/density-functional-theory-roshan-thotagamuge-ebook","provider":"CineBuch","version":"1.0","type":"link"}