ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
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. © 2000 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.480727
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