We solve the long-standing problem of the large overestimation of the static polarizability of conjugated polymers obtained using the local density approximation within density-functional theory. The local approximation is unable to describe the highly nonlocal exchange and correlation (xc) effects found in these quasi-one-dimensional systems.â€¦ (More)

a 2-year period a tenacious film formed. Daily free passage of sponge rubber balls through the tubing only removed the loose surface biofouling layer and was inadequate as a countermeasure in both titanium and aluminum alloy tubes. Chlorination at 0.05, 0.07, and 0.10 mg liter-' for 1 h day'1 lowered biofouling rates. Only at 0.10 mg liter-' was chlorineâ€¦ (More)

The aim of this work is to provide a physical model to relate the polarizability per unit cell of oligomers to that of their corresponding infinite polymer chains. For this we propose an extrapolation method for the polarizability per unit cell of oligomers by fitting them to a physical model describing the dielectric properties of polymer chains. Thisâ€¦ (More)

We provide a successful approach towards the solution of the longstanding problem of the large overestimation of the static polarizability of conjugated oligomers obtained using the local density approximation within density-functional theory. The local approximation is unable to describe the highly nonlocal exchange and correlation effects found in theseâ€¦ (More)