Abstract
An exact π-electron calculation is presented for the ground singlet and lowest triplet states in naphthalene, azulene, and linear and cyclic decapentaene.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
Literature cited
P. J. Knowles and N. C. Handy, Chem. Phys. Lett.,111, No. 4, 315–321 (1984).
J. Olsen, B. O. Roos, P. Jorgensen, and H. Jensen, J. Chem. Phys.,89, No. 4, 2185–2192 (1988).
A. V. Luzanov, Teor. Éksp. Khim.,25, No. 1, 1–12 (1989).
P. J. Knowles and N. C. Handy, J. Chem. Phys.,91, No. 4, 2396–2398 (1989).
A. V. Luzanov, Yu. F. Pedash, and V. V. Ivanov, Zh. Strukt, Khim.,30, No. 5, 3–11 (1989).
A. V. Luzanov, Teor. Éksp. Khim.,17, No. 3, 293–302 (1981).
A. V. Luzanov, Yu. F. Pedash, and S. Mokhamad, ibid,26, No. 5, 513–525 (1990).
Yu. F. Pedash, V. V. Ivanov, and A. V. Luzanov, ibid,25, No. 6, 659–664 (1989).
Additional information
Kharkov University. Translated from Teoreticheskaya i Éksperimental'naya, Vola 27, No. 4, pp. 452–455, July–August 1991. Original article submitted January 14, 1991.
Rights and permissions
About this article
Cite this article
Pedash, Y.F., Ivanov, V.V. & Luzanov, A.V. Complete configuration interaction and π-shell structure in 10-center conjugated systems. Theor Exp Chem 27, 393–395 (1991). https://doi.org/10.1007/BF01372513
Issue Date:
DOI: https://doi.org/10.1007/BF01372513