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Simple LCAO band calculation for the ideal polyethylene chain
Uppsala University, Disciplinary Domain of Science and Technology, Faculty of Mathematics and Science.
1968 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 2, no 4, 230-232 p.Article in journal (Refereed) Published
Abstract [en]

The extended Huckel method is used to calculate the hand structure of ideal polyethylene. The results for the valence bands are in reasonable agreement with some earlier work. those for the unoccupied states are not. except in one respect which permits a speculation on the origin of an unexplained feature of the optical absorption spectrum.

Place, publisher, year, edition, pages
1968. Vol. 2, no 4, 230-232 p.
National Category
Chemical Sciences
URN: urn:nbn:se:uu:diva-177157DOI: 10.1016/0009-2614(68)85008-0ISI: 000202965800008OAI: oai:DiVA.org:uu-177157DiVA: diva2:539858
Available from: 2012-07-05 Created: 2012-07-04 Last updated: 2012-07-05Bibliographically approved

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