The spin-unrestricted and the spin-proje
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Obis Castan̄o; Peter Karadakov
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Article
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1986
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Elsevier Science
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English
⚖ 370 KB
Investigations into the stability of the closed-shell RHF solutions for cyclic polyenes of varying ring size have been carried out in the framework of the spin-UHF and spin-PHF methods employing the PPP approximation. With increasing ring size the lowest eigenvalues from the non-singlet stability pr