Accurate Einstein coefficients for electric dipole transitions in the first negative band of N2+

Context. The N-2(+) fluorescence spectrum of comet C/2016 R2 is modelled in a companion paper. That work relies on accurate Einstein coefficients for electric dipole transitions between the B-2 Sigma(+)(u)( )and X-2 Sigma(+)(g) electronic states of N-2(+). Aims. These coefficients are provided in the present paper. Methods. The potential energy curves and transition dipole moments were computed at a high level of ab initio theory and include relativistic corrections. Rovibrational wavefunctions were then obtained without assuming separability of vibrational and rotational motions. Results. Vibrationally and rotationally resolved Einstein coefficients are presented in a convenient three-parameter functional form for three isotopologues. A possible explanation is given for the large variation in the experimental radiative lifetimes.

Automated summary

This paper provides accurate Einstein coefficients for electric dipole transitions between the B-2 Sigma(+)(u) and X-2 Sigma(+)(g) electronic states of N-2(+). The coefficients were obtained through high-level ab initio calculations and include relativistic corrections. Vibrationally and rotationally resolved wavefunctions and Einstein coefficients are presented in a convenient three-parameter functional form.