Quantal Density Functional Theory / by Viraht Sahni

By:

Sahni, Viraht, 1944- [aut]

Resource type: Ressourcentyp: Buch (Online)Book (Online)Language: English Series: SpringerLink BücherPublisher: Berlin ; Heidelberg : Springer, 2016Edition: 2nd ed. 2016Description: Online-Ressource (XIX, 413 p. 71 illus., 20 illus. in color, online resource)ISBN:

9783662498422

Subject(s):

Additional physical formats: 9783662498408 | Druckausg.: 978-3-662-49840-8 | Erscheint auch als: Quantal density functional theory ; [1]. Druck-Ausgabe Second edition. Berlin : Springer, 2016. xix, 413 SeitenDDC classification:

530.1

RVK: RVK: UK 2000 | UL 1000 | UP 3600LOC classification:

QC19.2-20.85

DOI: DOI: 10.1007/978-3-662-49842-2Online resources:

Summary: From the Contents: Schrödinger Theory from the Perspective of ‘Classical’ Fields Derived from Quantal Sources -- Quantal Density Functional Theory -- The Hohenberg-Kohn Theorems and Kohn-Sham Density Functional Theory -- Physical Interpretation of Kohn-Sham Density Functional Theory -- Generalization of the Hohenberg-Kohn Theorem to the Presence of a Magnetostatic Field.Summary: This book deals with quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter. The treated time-independent QDFT constitutes a special case. In the 2nd edition, the theory is extended to include the presence of external magnetostatic fields. The theory is a description of matter based on the ‘quantal Newtonian’ first and second laws which is in terms of “classical” fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of electron correlations due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, correlation-current-density, and correlation-magnetic effects. The book further describes Schrödinger theory from the new physical perspective of fields and quantal sources. It also describes traditional Hohenberg-Kohn-Sham DFT, and explains via QDFT the physics underlying the various energy functionals and functional derivatives of the traditional approach to electronic structure. .PPN: PPN: 1658607341Package identifier: Produktsigel: ZDB-2-SEB | ZDB-2-SXP | ZDB-2-PHA

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