SVD as a method of the construction of the antisymmetrized basis functions for a multi-electronatom

Abstract

We present a procedure allowing fully antisymmetrized basis functions to be built for a multi-electron system in a very simple and efficient way. The procedure relies solely on a linear algebra procedure, known as the singular value decomposition (SVD), and allows both to construct the basis functions of arbitrary symmetry and to easily compute the matrix elements. We have applied the procedure to calculate triply excited 2l2l′2l″ resonances in lithium and have compared them with the available theoretical and experimental results. Show more