A Primer in Density Functional Theory / / edited by Carlos Fiolhais, Fernando Nogueira, Miguel A.L. Marques

• Record Nr.: UNINA9910139817903321
• Pubbl/distr/stampa: Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2003
• ISBN: 3-540-37072-2
• Edizione: [1st ed. 2003.]
• Descrizione fisica: 1 online resource (XIII, 258 p.)
• Collana: Lecture Notes in Physics, , 0075-8450 ; ; 620
• Disciplina: 530.15
• Soggetti: Mathematical physics; Chemistry, Physical and theoretical; Quantum theory; Atomic structure; Molecular structure; Condensed matter; Theoretical, Mathematical and Computational Physics; Theoretical and Computational Chemistry; Quantum Physics; Atomic/Molecular Structure and Spectra; Condensed Matter Physics
• Lingua di pubblicazione: Inglese
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Note generali: Bibliographic Level Mode of Issuance: Monograph
• Nota di bibliografia: Includes bibliographical references.
• Nota di contenuto: Density Functionals for Non-relativistic Coulomb Systems in the New Century -- Orbital-Dependent Functionals for the Exchange-Correlation Energy: A Third Generation of Density Functionals -- Relativistic Density Functional Theory -- Time-Dependent Density Functional Theory -- Density Functional Theories and Self-energy Approaches -- A Tutorial on Density Functional Theory.
• Sommario/riassunto: Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied to compute properties of atoms and simple molecules, DFT has quickly become a work horse for more complex applications in the chemical and materials sciences. The present set of lectures, spanning ; the whole range from basic principles to relativistic and time-dependent extensions of the theory, is the ideal introduction for graduate students or nonspecialist researchers wishing to familiarize themselves with both the basic and most advanced techniques in this field.