Finite dimensional approximations for the electronic ground state solution of a molecular system

Abstract

In this paper, finite dimensional approximations for the electronic ground state solution of a molecular system are studied in the Thomas-Fermi-von Weizsäcker type setting. The convergence of the finite dimensional approximations obtained by a Galerkin discretization of the nonlinear eigenvalue equation is proved. In particular, several upper bounds of the approximation errors are established. Copyright © 2006 John Wiley & Sons, Ltd.