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.
- Received 2 December 1991
DOI:https://doi.org/10.1103/PhysRevLett.68.2496
©1992 American Physical Society
