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- W2023577583 abstract "Abstract The microscopic theory of the neutral-ionic (NI) transition found in mixed-stack charge transfer compounds is developed. Quoting the results of the quantum Monte Carlo simulations, we sketch the physical picture of this transition. The neutral-ionic domain wall (NIDW) on a chain plays the major role in explaining the optical and electrical properties found experimentally. Its relationship with soliton structures is also discussed." @default.
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- W2023577583 date "1987-03-01" @default.
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- W2023577583 title "Theory of neutral-ionic transition in mixed stack compounds" @default.
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- W2023577583 doi "https://doi.org/10.1016/0379-6779(87)90403-6" @default.
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