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• W2085898018 abstract "A method is developed which gives an explicit self-consistent algebraic expression for the polarization energy of a point charge localized in a perfect molecular crystal in terms of Fourier transformed lattice multipole sums. An exact macroscopic expression is derived for the long-range contribution. Calculations of the polarization energy in anthracene and naphthalene are presented for several molecular polarizabilities. The results confirm those obtained by the self-consistent polarization field method and agree with experiment, though the point-molecule approximation is not strictly adequate. The method may be extended to calculate the forces on molecules and the electron-phonon coupling due to polarization fluctuations." @default.
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• W2085898018 date "1979-11-01" @default.
• W2085898018 modified "2023-10-16" @default.
• W2085898018 title "Polarization energy of a localized charge in a molecular crystal" @default.
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• W2085898018 doi "https://doi.org/10.1016/0301-0104(79)80067-1" @default.
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