Structure and dynamics of bipolarons in liquid ammonia
- 20 April 1992
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 68 (16) , 2496-2499
- https://doi.org/10.1103/physrevlett.68.2496
Abstract
The behavior of singlet- and triplet-state bipolarons in liquid ammonia has been studied by quantum simulation. The singlet-state electron density is a peanut-shaped cavity structure with peaks in the distribution about 7 Å apart, whereas the triplet-state electron density consists of two distinct cavities. These findings are consistent with a large number of experimental observations and with a model proposed by Mott. In the singlet state, the dynamics of the electrons is characterized by novel hopping events.Keywords
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