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: Calculations on nonlinear optical properties for large systems
    sub title: The elongation method
  name:
    name part: Gu, Feng Long.
    role:
      role term: creator
    role:
      role term: author.
  name:
    name part: Aoki, Yuriko.
    role:
      role term: author.
  name:
    name part: Springborg, Michael.
    role:
      role term: author.
  name:
    name part: Kirtman, Bernard.
    role:
      role term: author.
  name:
    name part: SpringerLink (Online service)
  type of resource: text
  origin info:
    place:
      place term: gw
    date issued: 2015
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: electronic
    form: electronic resource
    reformatting quality: access
    form: remote
    extent: XVI, 93 p. 18 illus., 14 illus. in color. online resource.
  abstract: For design purposes one needs to relate the structure of proposed materials to their NLO (nonlinear optical) and other properties, which is a situation where theoretical approaches can be very helpful in providing suggestions for candidate systems that subsequently can be synthesized and studied experimentally. This brief describes the quantum-mechanical treatment of the response to one or more external oscillating electric fields for molecular and macroscopic, crystalline systems. To calculate NLO properties of large systems, a linear scaling generalized elongation method for the efficient and accurate calculation is introduced. The reader should be aware that this treatment is particularly feasible for complicated three-dimensional and/or delocalized systems that are intractable when applied to conventional or other linear scaling methods.
  table of contents: Survey of Nonlinear Optical Materials -- Quantum-Mechanical Treatment of Responses to Electric Fields — Molecular Systems -- Quantum-Mechanical Treatment of Responses to Electric Fields — Extended Systems -- The Elongation Method -- Applications of the Elongation Method to NLO Properties -- Future Prospects.
  note: by Feng Long Gu, Yuriko Aoki, Michael Springborg, Bernard Kirtman.
  subject:
    topic: Chemistry
  subject:
    topic: Chemistry, Physical and theoretical
  subject:
    topic: Proteins
  subject:
    topic: Optics
  subject:
    topic: Electrodynamics
  subject:
    topic: Nanotechnology
  subject:
    topic: Chemistry
  subject:
    topic: Theoretical and Computational Chemistry
  subject:
    topic: Optics and Electrodynamics
  subject:
    topic: Nanotechnology
  subject:
    topic: Protein Science
  classification: QD450-801
  classification: 541.2
  related item:
    title info:
      title: Springer eBooks
  related item:
    title info:
      title: SpringerBriefs in Molecular Science
  identifier: 9783319110684
  identifier: http://dx.doi.org/10.1007/978-3-319-11068-4
  record info:
    record creation date: 141120
    record change date: 20151103124046.0
    record identifier: 978-3-319-11068-4