Was Pauling Mistaken about Metals?

Molecules

Andreas Savin¹ 

[1] Laboratoire de Chimie Théorique, CNRS and Sorbonne University, 4 Place Jussieu, CEDEX 05, 75252 Paris, France;

关键词: Kronig–Penney model;    maximum probability domains;    metallic bond;    resonant structures;   

DOI  :  10.3390/molecules26071930

来源: DOAJ

【 摘 要 】

Pauling described metallic bonds using resonance. The maximum probability domains in the Kronig–Penney model can show a picture of it. When the walls are opaque (and the band gap is large) the maximum probability domain for an electron pair essentially corresponds to the region between the walls: the electron pairs are localized within two consecutive walls. However, when the walls become transparent (and the band gaps closes), the maximum probability domain can be moved through the system without a significant loss in probability.

【 授权许可】

Unknown