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- W2056599605 abstract "We evaluate the static and dynamic electronic longitudinal polarizability and first hyperpolarizability of infinite poly-water by using the same geometry, the same orientation and the same basis set as Otto et al. but by applying the finite oligomer technique. We show that for the first hyperpolarizability, the polymeric values per unit cell calculated by Otto et al. are inconsistent by several orders of magnitude with respect to the infinite oligomer limit." @default.
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- W2056599605 date "2000-01-15" @default.
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- W2056599605 title "Comment on “Calculation of <i>ab initio</i> dynamic hyperpolarizabilities of polymers” [J. Chem. Phys. <b>110</b>, 2717 (1999)]" @default.
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- W2056599605 doi "https://doi.org/10.1063/1.480727" @default.
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