Localization, hopping, and diffusion of electrons in molten salts

Annabella Selloni, P. Carnevali, Roberto Car, M. Parrinello

Research output: Contribution to journalArticlepeer-review

165 Scopus citations


The electronic states and dynamical properties of dilute liquid K-KCl solutions are studied by simultaneous integration of the coupled time-dependent Schrödinger equation for the excess electrons and classical equations of motion for the ions. Excess electrons are found to spend most of their time in localized F-center states, whose size and shape can fluctuate significantly. Transport is mostly due to jumps between localized states, with a jumping rate 3×1012 s-1. The optical excitation spectrum and the electron diffusion coefficient are calculated and found to be in agreement with the experimental data.

Original languageEnglish (US)
Pages (from-to)823-826
Number of pages4
JournalPhysical review letters
Issue number7
StatePublished - 1987

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy


Dive into the research topics of 'Localization, hopping, and diffusion of electrons in molten salts'. Together they form a unique fingerprint.

Cite this