Title of article :
Spatial localization, correlation, and statistical dependence of electrons in atomic domains: The and states of H2
Author/Authors :
Martيn Pendلs، نويسنده , , A. and Francisco، نويسنده , , E. and Blanco، نويسنده , , M.A.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2007
Abstract :
We merge in this Letter electron number distribution functions at the coarse-grained level provided by the quantum theory of atoms in molecules and the interacting quantum atoms approach. We show that, together, they provide an appealing chemical image of how the spatial localization and the statistical dependence of electrons translate into the energetic features of simple bonds. This is done in the lowest singlet and triplet states of H2.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters