Max Planck Institute for Mathematics in the Sciences, Inselstrasse 22, Leipzig 04103, Germany.
J Chem Phys. 2010 Apr 14;132(14):144504. doi: 10.1063/1.3382542.
Using the path integral centroid approach, we investigate dispersion interactions between electrons solvated in metal-ammonia solutions. We have argued that at finite metal concentrations, the behavior of the solvated electrons is controlled by these interactions. The latter result in a peculiar nonmetal-metal transition, which appears as a sharp dielectric enhancement and a mechanical instability of the system. Our results indicate also that the solvated electrons are to be considered as a two-component mixture consisting of localized and delocalized electrons beyond the critical density corresponding to this mechanical instability.
利用路径积分质心法,我们研究了金属氨溶液中电子的弥散相互作用。我们认为,在有限的金属浓度下,溶剂化电子的行为受这些相互作用控制。后者导致了一种特殊的非金属-金属转变,表现为系统的尖锐介电增强和力学不稳定性。我们的结果还表明,溶剂化电子应被视为一种由局域电子和离域电子组成的双组分混合物,其临界密度超过了对应于这种力学不稳定性的密度。