Maximum entropy method and multipole analysis of the bonding in sodium and vanadium metals

J Phys Condens Matter. 2007 Jul 4;19(26):266221. doi: 10.1088/0953-8984/19/26/266221. Epub 2007 Jun 15.

Abstract

The nature of bonding and the charge distribution in sodium and vanadium metals have been analysed using the reported x-ray data of these metals. The maximum entropy method (MEM) and multipole analysis have been used. The bonding in these metals has been elucidated and analysed. The mid-bond densities in sodium and vanadium are found to be 0.014 and 0.723 electron Å(-3) respectively, giving an indication of the strength of the bonds in these materials. From the multipole analysis, the sodium atom is found to contract more than the vanadium atom.