Transition dipole moment (TDM) between (b triplet Sigma -) and (d triplet Pi) electronic states of C and H+ (MRCI+Q AV6Z). All quantities in atomic units. Babb and McLaughlin (2017)
Abstract DVR3D calculates rotationless (J=0) vibrational energy levels and wavefunctions for triatomic systems using scattering (Jacobi) coordinates, or optionally unsymmetrised Radau coordinates, f
