Researchers pave the way for calculating circular dichroism spectra more efficiently
Published Date: 4/1/2021
Source: phys.org
Members of the CEST group published a recent paper introducing a novel method to calculate CD spectra in the open source GPAW code. The publication shows that the implemented approach is more efficient than the commonly used linear-response method and can easily calculate CD spectra of nanoscale systems, such as hybrid silver clusters composed of over 1000 atoms.