TOWARDS VIABLE METHODS TO COMPUTE NONLINEAR OPTICAL PROPERTIES FOR BIOCHEMICAL SYSTEMS

Abstract

Nonlinear optics is a field with new applications being regularly discovered, which leads to a growing interest in computing these properties. In this work, we attempt to determine new methods of computationally determining the properties of biologically relevant systems. We do so through testing a novel finite-field method to compute these properties. To facilitate the computation of molecular energies required for finite-field calculations, we tested a hypergeometric resummation scheme. Together, these projects form a strong step into being able to compute the nonlinear optical properties for larger systems of biological relevance.