rdf-syntax-grammar
mods:
  schema location: http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
  title info:
    title: Density Functional Theory in Quantum Chemistry
  name:
    name part: Tsuneda, Takao.
    role:
      role term: creator
    role:
      role term: author.
  name:
    name part: SpringerLink (Online service)
  type of resource: text
  origin info:
    place:
      place term: ja
    date issued: 2014
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: electronic
    form: electronic resource
    reformatting quality: access
    form: remote
    extent: X, 200 p. 25 illus. online resource.
  abstract: In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodology of quantum chemistry, which is familiar to many chemists, including experimentalists. This book first reviews the basic concepts and historical background of quantum chemistry and then explains those of DFT, showing how the latter fits into the bigger picture. Recent interesting topics of DFT in chemistry are also targeted. In particular, the physical meanings of state-of-the-art exchange-correlation functionals and their corrections are described in detail. Owing to its unconventionality, this book is certain to be of great interest not only to chemists but also to solid state physicists.
  table of contents: Quantum Chemistry -- Hartree-Fock method -- Electron correlation -- Kohn-Sham method -- Exchange-correlation functionals -- Corrections for functionals -- Orbital energy -- Appendix: Fundamental Conditions.
  note: by Takao Tsuneda.
  subject:
    topic: Chemistry
  subject:
    topic: Chemistry, Physical and theoretical
  subject:
    topic: Physics
  subject:
    topic: Solid state physics
  subject:
    topic: Chemistry
  subject:
    topic: Theoretical and Computational Chemistry
  subject:
    topic: Theoretical, Mathematical and Computational Physics
  subject:
    topic: Solid State Physics
  classification: QD450-801
  classification: 541.2
  related item:
    title info:
      title: Springer eBooks
  identifier: 9784431548256
  identifier: http://dx.doi.org/10.1007/978-4-431-54825-6
  record info:
    record creation date: 140218
    record change date: 20151204181244.0
    record identifier: 978-4-431-54825-6