Authors
Albert L Nichols, David Chandler, Yashwant Singh, Diane M Richardson
Publication date
1984/12/1
Journal
The Journal of chemical physics
Volume
81
Issue
11
Pages
5109-5116
Publisher
AIP Publishing
Description
The theory for solvated excess electrons described in an earlier paper is now applied numerically. For the simple model of an electron excluded from spherical regions of radius d surrounding each ofthe particles in a hard sphere fluid, our results exhibit a rich behavior. At all temperatures for which... Ie> a, where... Ie is the thermal wavelength of the electron and ais the diameter of the hard sphere fluid particles, we find a relatively narrow transition region of solvent densities below which the solvated electron is extended and above which the electron is localized. For... Ie= lOa andd= a12, localization occurs near the solvent densityO. lSa-3• Both the width and location of the transition region increase with decreasing... Ie (ie, increasing temperature). When... Ie= 6a, the region is broad, barely discernible, and located near 0.3 a-3 when d= a12. For... Ie: S Sa, no precipitous behavior is found as density is increased and …
Total citations
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Scholar articles
AL Nichols, D Chandler, Y Singh, DM Richardson - The Journal of chemical physics, 1984