SOLITONIC STATES IN ORGANIC CONDUCTING POLYMERS

In a typical solitonic distribution, the soliton density is distributed over the entire molecule and the present work shows how its density can be decomposed into solitonic and antisolitonic components. It is found that there exists a unique electron as soliton over the anionic nanoconductor, while there are many other solitons and antisolitons. The solitonic states are further decomposed to the canonical molecule orbitals including the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO), and it is concluded that LUMO is not necessarily occupied by one electron in the studied molecules. Also, analogous electrons were found to be responsible for spin separation which is revealed from distinct contributions in different molecular regions of the nanoconductor.