Nearly exact calculations of small atomic and molecular systems using explicilty correlated gaussians

ORAL

Abstract

We demonstrate how very precise (virtually exact) solutions of various quantum mechanical problems can be obtained using the variational method with explicitly correlated Gaussian basis functions (ECGFs). As examples we consider several benchmark systems, such as few-electron atoms and molecules, as well as Coulomb systems containing exotic particles. We also discuss the evaluation of relativistic corrections in the framework of ECGFs.

Authors

  • Sergiy Bubin

    Vanderbilt University Department of Physics and Astronomy, Vanderbilt University

  • Kalman Varga

    Vanderbilt University Department of Physics and Astronomy, Vanderbilt University, Vanderbilt Univeristy

  • Ludwik Adamowicz

    University of Arizona