Nuclear spin-spin coupling constants in
✍
Jan Geertsen
📂
Article
📅
1987
🏛
Elsevier Science
🌐
English
⚖ 216 KB
A recently derived coupled-cluster doubles polarization propagator approximation (CCDPPA) for excitation energies and transition moments is extended to the calculation of nuclear spin-spin coupling constants. As expected, in cases where the perturbation is small (e.g. C2H2) the difference between re