Excited state properties of formamide in water solution: an ab initio study.


We present ab initio quantum calculation of the optical properties of formamide in vapor phase and in water solution. We employ time dependent density functional theory for the isolated molecule and many-body perturbation theory methods for the system in solution. An average over several molecular dynamics snapshots is performed to take into account the… (More)
DOI: 10.1063/1.4763980