In the time-dependent density functional theory framework, the optical absorption spectrum of a molecular system can be estimated from the trace of the dynamic polarizability associated with the linear response of the charge density to an external potential perturbation of the ground state Hamiltonian. Although an accurate description of the abs...
Creator:
Yang, Chao (Lawrence Berkeley National Laboratory)
Created:
2017-04-25
Contributed By:
University of Minnesota, Institute for Mathematics and its Applications.