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Correlation effects in the low-lying excited states of the PPP models of alternant hydrocarbons. II. State correlation diagrams

✍ Scribed by J. Paldus; J. Čižek; I. HubaČ

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
704 KB
Volume
8
Category
Article
ISSN
0020-7608

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## Abstract Simple rules for an estimate of the correlation effects in the low‐lying states of alternant hydrocarbons, as described by the Pariser–Parr–Pople Hamiltonian, are formulated. These rules are based on the alternancy and spin symmetry classification of states in both strongly and weakly c

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## Abstract A general procedure, based on the two‐point Padé approximant technique, is formulated, enabling an interpolation of the low‐lying energy levels of the PPP (Pariser–Parr–Pople) Hamiltonian over the divergency gap separating the asymptotic perturbation expansions in both strongly and weak