Abstract
The solvation of an electron in liquid ammonia has been studied using quantum path integral Monte Carlo calculations. In agreement with previous experimental and theoretical deductions the charge distribution of the electron is compact. Various distribution functions characterizing the structure around the solvated electron are presented and the surrounding solvent structure is compared to that around a classical atomic anion. A qualitative discussion is given of the absorption spectrum based upon the form of the complex time dependence of the electron mean squared displacement correlation function.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.