Theoretical Studies of the Nonlinear Optical Properties of L-Arginine Phosphate

This paper will present quantum calculations on the L-arginine part of the nonlinear crystal L-arginine phosphate. The emphasis here will be on understanding the NLO properties in terms of the excited states of the system and accompanying charge movements in these excited states. Both the carboxylate and the guanidyl ends of the molecule contribute to the values of β. The guanidyl seems to be the bigger contributor, but the contribution varies with the particular tensor component. The properties of the crystal will not be discussed here.