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Bond alternation in ring‐shaped molecules: The stability of the Peierls instability
Author(s) -
Lieb Elliott H.,
Nachtergaele Bruno
Publication year - 1996
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1996)58:6<699::aid-qua12>3.0.co;2-t
Subject(s) - instability , alternation (linguistics) , antiferromagnetism , condensed matter physics , ring (chemistry) , molecule , bond length , physics , peierls transition , chemistry , chemical physics , quantum mechanics , philosophy , linguistics , organic chemistry
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. © 1996 John Wiley & Sons, Inc.
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