  Molecular dynamics calculations were preformed on organic crystals
4-N,N-dimethylamino-4'-N'-methyl-stilbazolium tosylate (DAST) and
4-N,N-dimethylamino-4'-N'-methylstilbazolium 2,4,6-trimethylbenzenesulfonate
(DSTMS). Vibrational modes of the structures were investigated to examine the
single unit cell phononic contribution of the organic crystals to their
terahertz generating capabilities. Linear optical properties were also
calculated from snapshots of the molecular dynamics structures through
Green-Kubo relations, and compared with experimental transmission.
