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: Péter R. Surján
    sub title: A Festschrift from Theoretical Chemistry Accounts
  name:
    name part: Szabados, Ágnes.
    role:
      role term: editor.
  name:
    name part: Kállay, Mihály.
    role:
      role term: editor.
  name:
    name part: Szalay, Péter G.
    role:
      role term: editor.
  name:
    name part: SpringerLink (Online service)
  type of resource: text
  origin info:
    place:
      place term: gw
    date issued: 2016
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: electronic
    form: electronic resource
    reformatting quality: access
    form: remote
    extent: VI, 266 p. 102 illus., 79 illus. in color. online resource.
  abstract: In this Festschrift dedicated to the 60th birthday of Péter R. Surján, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry and will especially benefit those research groups and libraries with limited access to the journal.
  table of contents: From the content: Preface -- Local random phase approximation with projected oscillator orbitals -- Orthogonality-constrained Hartree–Fock and perturbation theory for high-spin open-shell excited states -- On the non-integer number of particles in molecular system domains: treatment and description.-Spin contamination and noncollinearity in general complex Hartree–Fock wave functions.-Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom.-Use of graphics processing units for efficient evaluation of derivatives of exchange integrals by means of Fourier transformation.
  note: edited by Ágnes Szabados, Mihály Kállay, Péter G. Szalay.
  subject:
    topic: Chemistry
  subject:
    topic: Physical chemistry
  subject:
    topic: Chemistry, Physical and theoretical
  subject:
    topic: Atomic structure
  subject:
    topic: Molecular structure
  subject:
    topic: Spectra
  subject:
    topic: Chemistry
  subject:
    topic: Theoretical and Computational Chemistry
  subject:
    topic: Atomic/Molecular Structure and Spectra
  subject:
    topic: Physical Chemistry
  classification: QD450-801
  classification: 541.2
  related item:
    title info:
      title: Springer eBooks
  related item:
    title info:
      title: Highlights in Theoretical Chemistry, 12
  identifier: 9783662498255
  identifier: http://dx.doi.org/10.1007/978-3-662-49825-5
  record info:
    record creation date: 160427
    record change date: 20160428170605.0
    record identifier: 978-3-662-49825-5