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• W1967036557 abstract "It is nearly 40 years since the PPP method was proposed, and we demonstrate here that the method is still active in studying the electronic structures of very large conjugated systems and/or periodic systems. The kink (solition) problems in polyacetylene are solved with the UHF-PPP Hamiltonian, demonstrating that there appear several new features which have not been obtained without considering the interelectronic interactions of the PPP type. Next, the electron correlation effect in polyacetylene is discussed through the crystal orbital-PPP CI calculations. Finally, three-dimensional crystal orbital-CNDO calculations on graphite and black phosphorus are reported." @default.
• W1967036557 created "2016-06-24" @default.
• W1967036557 creator A5029903725 @default.
• W1967036557 date "1990-04-01" @default.
• W1967036557 modified "2023-09-24" @default.
• W1967036557 title "Studies on large electronic systems withPPP: Testimony ofPPP's activity" @default.
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• W1967036557 doi "https://doi.org/10.1002/qua.560370417" @default.
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