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- W2020440076 abstract "Abstract Molecular aggregation effects on the static and dynamic electronic polarizability and hyperpolarizability are estimated within the time-dependent Hartree–Fock scheme by using a decomposition procedure over the atomic orbitals. For each molecule, the total property value consists in an algebraic sum of two contributions: an intrinsic part coming only from the atomic orbitals belonging to the molecule and a mixed contribution coming from the crossed terms associated with atomic orbitals describing the target molecule and its neighbors. All- trans hexatriene molecular clusters are examined to illustrate this decomposition scheme and to analyze the electronic cooperative behavior of the building units." @default.
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- W2020440076 title "Effective molecular polarizabilities and hyperpolarizabilities in all-trans hexatriene clusters" @default.
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- W2020440076 doi "https://doi.org/10.1016/s0009-2614(03)00061-7" @default.
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