Description
Accurate line lists for the carbon dimer, C_2_, are presented. These line lists cover rovibronic transitions between the eight lowest electronic states: X, A, B, B', a, b, c, d. Potential energy curves (PECs) and transition dipole moment curves are computed on a large grid of geometries using the aug-cc-pwCVQZ-DK/MRCI level of theory including core and core-valence correlations and scalar relativistic energy corrections. The same level of theory is used to compute spin-orbit and electronic angular momentum couplings. The PECs and couplings are refined by fitting to the empirical (MARVEL) energies of C_2_ using the nuclear-motion program Duo. The transition dipole moment curves are represented as analytical functions to reduce the numerical noise when computing transition line strengths. Partition functions, full line lists, Lande-factors and lifetimes for three main isotopologues of C_2_ (^12^C_2_, ^13^C_2_ and ^12^C^13^C) are made available.
|