Gaussian 16 AVX2 version and C01 revision single point energy refinement using the geometry optimised structure from the corresponding def2tzvpp calculation
Gaussian 16 AVX2 version and C01 revision single point energy refinement using the geometry optimised structure from the corresponding def2tzvp calculation
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)
