Accession Number : ADA334898

Title :   Coupled Cluster and Electron Correlation Workshop (1997) "Fifty Years of the Correlation Problem" Held in Cedar Key, Florida on June 15-19, 1997

Descriptive Note : Final rept. 15 Feb-14 Aug 97

Corporate Author : FLORIDA UNIV GAINESVILLE DEPT OF CHEMISTRY

Personal Author(s) : Bartlett, Rodney J.

PDF Url : ADA334898

Report Date : AUG 1997

Pagination or Media Count : 2

Abstract : The Coupled Cluster Theory Electron Correlation Workshop 'Fifty Years of the Correlation Problem' was held at Cedar Key, Florida, from June 15-19, 1997, to recognize the essential developments for one of the dominant topics in the quantum theory of atoms, molecules, and solids. The instantaneous Coloumbic interactions among electrons that correlate their motion (the electron correlation problem) has been the focal point of ab initio quantum chemistry and physics for many years. Only with the proper inclusion of electron correlation in approximate solutions of the Schroedinger (or Dirac-Fock) equation is it possible to provide predictive accuracy for most properties of atoms and molecules. Such quantities include energetics (involving multiplets, dissociation pathways, and activation barriers), excited states and first- and second-order properties (like moments, field, gradients, polarizabilitles, and magnetic susceptibilities), and vibrational, electronic, EPR and NMR spectra, among others.

Descriptors :   *QUANTUM CHEMISTRY, *MOLECULES, *ATOMS, *ELECTRONS, COUPLING(INTERACTION), ACTIVATION, SYMPOSIA, EXCITATION, QUANTUM THEORY, MOMENTS, SOLIDS, CORRELATION, CLUSTERING, PHYSICS, APPROXIMATION(MATHEMATICS), BARRIERS, PERMEABILITY(MAGNETIC), ENERGETIC PROPERTIES, DISSOCIATION, SPECIAL FUNCTIONS(MATHEMATICS), SCHRODINGER EQUATION, WORKSHOPS.

Subject Categories : Physical Chemistry
      Atomic and Molecular Physics and Spectroscopy
      Quantum Theory and Relativity

Distribution Statement : APPROVED FOR PUBLIC RELEASE