Abstract
Ab initio Hartree-Fock-Roothaan calculations have been performed on clusters of increasing size modelling polyacetylene-polyme thineimeine copolymers of various compositions. The resulting cluster orbitals have been analyzed and classified as interface, potential-well and bulk states. The implications for molecular-electronic devices are discussed.
Original language | English |
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Pages (from-to) | 681-683 |
Number of pages | 3 |
Journal | Solid State Communications |
Volume | 65 |
Issue number | 7 |
DOIs | |
Publication status | Published - Feb 1988 |
ASJC Scopus subject areas
- Chemistry(all)
- Condensed Matter Physics
- Materials Chemistry