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: Relativistic Quantum Theory of Atoms and Molecules
    sub title: Theory and Computation
  name:
    name part: Grant, I. P.
    role:
      role term: editor.
  name:
    name part: SpringerLink (Online service)
  type of resource: text
  origin info:
    place:
      place term: xxu
    date issued: 2007
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: electronic
    form: electronic resource
    reformatting quality: access
    form: remote
    extent: XXIV, 800 p. 46 illus. online resource.
  abstract: This book presents a unified approach to modern relativistic theory of the electronic structure of atoms and molecules which will provide experimental and theoretical scientists and graduate students with a range of powerful computational tools for a growing range of physical, chemical, technological and biochemical applications. Starting from its foundations in quantum electrodynamics, the book contains a careful account of relativistic atomic and molecular structure based on Dirac's relativistic Hamiltonian, and the numerical algorithms implemented by modern computer programs. The relativistic atomic structure code GRASP, which can compute atomic energy levels, radiative transition rates and other atomic properties using the multiconfigurational Dirac-Hartree-Fock or relativistic configuration interaction methods, is reviewed along with the relativistic R-matrix code DARC, which is used for the high precision modelling of the interactions of atoms and ions with photons and electrons. The recently developed BERTHA relativistic molecular structure code, the first to exploit fully the symmetry properties of Dirac 4-component spinors, provides a new resource for studying the properties of molecules, atomic clusters and other materials, especially those containing heavy elements for which a relativistic model is essential.
  table of contents: Relativity in atomic and molecular physics -- Relativity in atomic and molecular physics -- Foundations -- Relativistic wave equations for free particles -- The Dirac Equation -- Quantum electrodynamics -- Computational atomic and molecular structure -- Analysis and approximation of Dirac Hamiltonians -- Complex atoms -- Computation of atomic structures -- Computation of atomic properties -- Continuum processes in many-electron atoms -- Molecular structure methods -- Relativistic calculation of molecular properties -- Frequently used formulae and data -- Frequently used formulae and data -- Supplementary mathematics -- Supplementary mathematics.
  note: edited by I. P. Grant.
  subject:
    topic: Physics
  subject:
    topic: Physical chemistry
  subject:
    topic: Gravitation
  subject:
    topic: Quantum physics
  subject:
    topic: Atoms
  subject:
    topic: Atomic structure
  subject:
    topic: Molecular structure
  subject:
    topic: Spectra
  subject:
    topic: Physics
  subject:
    topic: Quantum Physics
  subject:
    topic: Atomic, Molecular, Optical and Plasma Physics
  subject:
    topic: Classical and Quantum Gravitation, Relativity Theory
  subject:
    topic: Atomic/Molecular Structure and Spectra
  subject:
    topic: Physical Chemistry
  classification: QC173.96-174.52
  classification: 530.12
  related item:
    title info:
      title: Springer eBooks
  related item:
    title info:
      title: Springer Series on Atomic, Optical, and Plasma Physics, 40
  identifier: 9780387350691
  identifier: http://dx.doi.org/10.1007/978-0-387-35069-1
  record info:
    record creation date: 100301
    record change date: 20151204143221.0
    record identifier: 978-0-387-35069-1