Author/Authors :
Manuel Alcoba-Leza، نويسنده , , Diego R. and Lain، نويسنده , , Luis and Torre، نويسنده , , Alicia and Bochicchio، نويسنده , , Roberto C.، نويسنده ,
Abstract :
This work describes the partitioning of the electronic energy in systems in which the atoms in molecules theory predicts the existence of non-nuclear attractors. The procedure is based on our previous proposals within studies of topological population analysis [D.R. Alcoba, L. Lain, A. Torre, R.C. Bochicchio, Chem. Phys. Lett. 407 (2005) 379]. Numerical determinations in the acetylene and dilithium molecules are reported and compared with those arising from other approaches.
