  Equilibrium polyethylene crystal structure, cohesive energy, and elastic
constants are calculated by density-functional theory applied with a recently
proposed density functional (vdW-DF) for general geometries [Phys. Rev. Lett.
92, 246401 (2004)] and with a pseudopotential-planewave scheme. The vdW-DF with
its account for the long-ranged van der Waals interactions gives not only a
stabilized crystal structure but also values of the calculated lattice
parameters and elastic constants in quite good agreement with experimental
data, giving promise for successful application to a wider range of polymers.
