title: Variational study on the vibrational level structure and IVR behavior of highly vibrationally excited S0 formaldehyde.
abstract: We perform large scale converged variational vibrational calculations on S(0) formaldehyde up to very high excess vibrational energies (E(v)), E(v)∼17,000cm(-1), using our vibrational method, consisting of a specific search/selection/Lanczos iteration procedure. Using the same method we investigate the vibrational level structure and intramolecular vibrational redistribution (IVR) characteristics for various vibrational levels in this energy range in order to assess the onset of IVR.
authors.affiliation: Institute of Solid State Physics, Bulgarian Academy of Sciences, Tsarigradsko Chaussee 72, 1784 Sofia, Bulgaria. rashev@issp.bas.bg
authors.forename: Svetoslav
authors.initials: S
authors.lastname: Rashev
authors.forename: David C
authors.initials: DC
authors.lastname: Moule
mesh_terms: D003198:Computer Simulation; D005557:Formaldehyde / Q000737:chemistry*; D008956:Models, Chemical; D014732:Vibration
chemical_list: D005557:Formaldehyde