Isbn: 9781837688791 - density functional theory - new perspectives and applications (4 risultati)

Buch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware 112 pp. Englisch.

Buch. Condizione: Neu. This item is printed on demand - Print on Demand Titel. Neuware -This book presents a comprehensive overview of density functional theory (DFT), from its basics to its practical application and implementation. It also discusses the breakthroughs in the field and the complete integration of physical and chemical aspects. It examines both orbital and time-dependent functions along with their variations according to semiquantitative analysis. The book also discusses analytical and computational techniques and principles, considering the classical and quantum approaches. Also covered are important topics such as HOMO (highest occupied molecular orbital), LUMO (lowest unoccupied molecular orbital), MEP (minimum energy paths), KS-DFT (Kohn-Sham density functional theory), UHFD (Unrestricted Hartree-Fock-Dirac), and Gaussian methods.Books on Demand GmbH, Überseering 33, 22297 Hamburg 112 pp. Englisch.…

Buch. Condizione: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - This book presents a comprehensive overview of density functional theory (DFT), from its basics to its practical application and implementation. It also discusses the breakthroughs in the field and the complete integration of physical and chemical aspects. It examines both orbital and time-dependent functions along with their variations according to semiquantitative analysis. The book also discusses analytical and computational techniques and principles, considering the classical and quantum approaches. Also covered are important topics such as HOMO (highest occupied molecular orbital), LUMO (lowest unoccupied molecular orbital), MEP (minimum energy paths), KS-DFT (Kohn-Sham density functional theory), UHFD (Unrestricted Hartree-Fock-Dirac), and Gaussian methods.…

Buch. Condizione: Neu. Density Functional Theory | New Perspectives and Applications | Sajjad Haider (u. a.) | Buch | Englisch | 2024 | IntechOpen | EAN 9781837688791 | Verantwortliche Person für die EU: preigu GmbH & Co. KG, Lengericher Landstr. 19, 49078 Osnabrück, mail[at]preigu[dot]de | Anbieter: preigu Print on Demand.…