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