Time-Dependent Molecular Response with both Electric and Magnetic Fields

ORAL

Abstract

Time-dependent molecular simulations of optical spectroscopy conventionally consider the electric field strength much stronger than the magnetic strength. The various molecular dynamics contributing to a optical spectrum of a molecule in solution are time-dependent, some occur in the early time response (rotational-degrees) and some on a longer time response (translational-degrees) of the molecule. This has motivated us to develop time-dependent molecular response theory with both the magnetic and electric fields included. Here, I will discuss the our movement towards time-dependent quantum chemistry, and our recent results with the optical activity of chiral molecules.

Authors

  • Rachel Glenn

    Virginia Tech

  • Andrew James

    Virginia Tech

  • T. Daniel Crawford

    Virginia Tech