{"product_id":"density-functional-theory-aleksey-e-kuznetsov-9780443189777","title":"Density Functional Theory: Current Trends and Applications Volume 25","description":"\u003cp\u003e\u003ci\u003eDensity Functional Theory: Current Trends and Applications\u003c\/i\u003e first examines the foundational knowledge surrounding DFT, examining some of its key concepts, such as the Thomas-Fermi model and the Hohenberg-Kohn-Sham theory; looking at the wealth of exchange-correlation functionals; and the advantages and disadvantages of DFT compared to the MO (molecular orbital ) theory and other methods, before exploring the areas of future DFT development. The second section then examines the practical methods and approaches for DFT, looking at the types of density functionals, such as LSDA (local spin-density approximation), GGA (generalized gradient approximation), and meta-GGA functionals; hybrid functionals; DFTB (density functional tight binding) methods; dispersion-corrected functionals; time-dependent DFT; and the plane-wave approach. It also looks at the relationships between DFT and \u003ci\u003eab initio\u003c\/i\u003e molecular dynamics and the QM\/MM (quantum mechanics\/molecular mechanics) approach. \u003c\/p\u003e\u003cp\u003e\u003c\/p\u003eThis book is designed for graduate- and postgraduate-level students and postdoctoral researchers principally studying computational and physical chemistry, who want to obtain an up-to-date overview and understanding of density functional and its applications.\u003cbr\u003e\u003cbr\u003e\u003cb\u003eAuthor:\u003c\/b\u003e Aleksey E. Kuznetsov\u003cbr\u003e\u003cb\u003eISBN-10:\u003c\/b\u003e 0443189773\u003cbr\u003e\u003cb\u003eISBN-13:\u003c\/b\u003e 9780443189777\u003cbr\u003e\u003cb\u003ePublisher:\u003c\/b\u003e Elsevier\u003cbr\u003e\u003cb\u003eLanguage:\u003c\/b\u003e English\u003cbr\u003e\u003cb\u003ePublished:\u003c\/b\u003e 10\/28\/2025\u003cbr\u003e\u003cb\u003ePages:\u003c\/b\u003e 434\u003cbr\u003e\u003cb\u003eFormat:\u003c\/b\u003e Paperback","brand":"Aleksey E. Kuznetsov","offers":[{"title":"Paperback","offer_id":47965136027903,"sku":"9780443189777","price":220.0,"currency_code":"USD","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0662\/2982\/9887\/files\/img_b00ba528-0134-41bb-a0cd-331159a2aeab.jpg?v=1767278639","url":"https:\/\/www.whiterainbookhouse.com\/products\/density-functional-theory-aleksey-e-kuznetsov-9780443189777","provider":"WR Book House","version":"1.0","type":"link"}