Research Catalog

Quantum mechanical electronic structure calculations with chemical accuracy

Title
Quantum mechanical electronic structure calculations with chemical accuracy / edited by Stephen R. Langhoff.
Publication
Dordrecht ; Boston : Kluwer Academic Publishers, ©1995.

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Details

Additional Authors
Langhoff, Stephen R.
Description
447 pages : illustrations; 25 cm.
Series Statement
Understanding chemical reactivity ; v. 13
Uniform Title
Understanding chemical reactivity ; v. 13.
Subject
  • Quantum chemistry
  • Elektronenstruktur
  • Quantenchemie
  • Elektronenstructuur
  • Clusters (natuurkunde)
  • Monte Carlo-methode
  • Organische verbindingen
  • Chimie quantique
  • Théorie quantique
Bibliography (note)
  • Includes bibliographical references and index.
Contents
Exact quantum chemistry by Monte Carlo methods / James B. Anderson -- Achieving chemical accuracy with coupled-cluster theory / Timothy J. Lee, Gustavo E. Scuseria -- Magnetic hyperfine coupling constants in free radicals / Daniel M. Chipman -- Calculation of accurate bond energies, electron affinities, and ionization energies / Larry A. Curtiss -- Accurate theoretical studies of small elemental clusters / Krishnan Raghavachari, Larry A. Curtiss -- Electronic spectroscopy of diatomic molecules / Harry Partridge, Stephen R. Langhoff, Charles W. Bauschlicher, Jr. --Theoretical spectoscopy of small molecules / M. Peric, B. Engels, S.D. Peyerimhoff -- Theoretical studies of the electronic spectra of organic molecules / Björn O. Roos [and others].
ISBN
  • 0792332644
  • 9780792332640
LCCN
94039289
OCLC
  • ocm31436482
  • 31436482
  • SCSB-2048493
Owning Institutions
Princeton University Library