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Exact solution of the density matrix equation of the coupled coherent and incoherent exciton motion on a linear chain

✍ Scribed by P. Reineker


Publisher
Elsevier Science
Year
1973
Tongue
English
Weight
138 KB
Volume
44
Category
Article
ISSN
0375-9601

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A note on density matrix extrapolation a
✍ P. G. Mezey; O. P. Strausz; R. K. Gosavi πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 266 KB

## Abstract Unrestricted Hartree–Fock (UHF) SCF–MO calculations on the doublet reaction surface for the addition of methylidyne (CH) to ethylene (C~2~H~4~) using the standard extrapolation techniques of the GAUSSIAN 70 program show erratic behavior. On the other hand, the potential energy surface c