Abstract
We investigate the phenomenon of bond alternation in ring molecules of the type (CH)2n, which occurs due to the Peierls instability. We prove that the energy-minimizing configuration of bond lengths always has period two when n is odd. When n is even, a new instability may destroy the periodicity two as long as n is not too large. We also analyze the corresponding problem for the Heisenberg antiferromagnetic "spin-Peierls" system and prove that instabilities other than period two never occur there.
Original language | English (US) |
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Pages (from-to) | 699-706 |
Number of pages | 8 |
Journal | International Journal of Quantum Chemistry |
Volume | 58 |
Issue number | 6 |
DOIs | |
State | Published - 1996 |
All Science Journal Classification (ASJC) codes
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry