Session J19: Frontiers in Electronic Structure Theory I

11:15 AM–2:15 PM, Tuesday, March 6, 2007
Colorado Convention Center Room: 104

Sponsoring Units: DCP DCOMP
Chair: Martin Head-Gordon, University of California, Berkeley

Abstract ID: BAPS.2007.MAR.J19.1

Abstract: J19.00001 : Post-Hartree-Fock Correlation Models

11:15 AM–11:51 AM

Preview Abstract MathJax On | Off Abstract  

Author:

  Axel Becke
    (Dalhousie University)

We have developed post-Hartree-Fock correlation models for all of dynamical, nondynamical, and dispersion correlations, based on real-space modelling of the correlation hole. Many of the outstanding problems in the density-functional theory of atomic, molecular, and condensed matter systems arise from local exchange approximations. Our post-Hartree-Fock approach circumvents these. The latest developments will be reported,

To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2007.MAR.J19.1