Combining Density-Functional Theory with Low-Temperature, Polarized Terahertz Spectroscopy of Single Crystals Explicates the Fundamental Modes of L-Alanine

J. L. Allen, T. J. Sanders, J. Horvat +2

Density-functional theory may be used to predict both the frequency and the dipole moment of the fundamental oscillations of molecular crystals. Suitably polarized photons at those…