• Computational Study of the Ro-Vibrational Spectrum of CO–CO2 

      Castro-Juárez, Eduardo; Wang, Xiao-Gang; Carrington, Tucker Jr; Quintas-Sánchez, Ernesto; Dawes, Richard (2019)
      An accurate ab initio ground-state intermolecular potential energy surface (PES) was determined for the CO–CO2 van der Waals dimer. The Lanczos algorithm was used to compute rovibrational energies on this PES. For both the ...