Electrostatic modeling of the linear optical susceptibilities of 2-methyl-4-nitroaniline, m-nitroaniline, 3-methyl-4-nitropyridine N-oxide and 2-carboxylic acid-4-nitropyridine-1-oxide crystals

The frequency dispersion of the linear susceptibility of 3-methyl-4-nitropyridine N-oxide crystal can be reproduced from using an electrostatic interaction scheme and first principle molecular responses.