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Spin-orbit coupling constants from coupled-cluster response theory

✍ Scribed by Christiansen, Ove; Gauss, Jürgen; Schimmelpfennig, Bernd


Book ID
111655579
Publisher
Royal Society of Chemistry
Year
2000
Tongue
English
Weight
131 KB
Volume
2
Category
Article
ISSN
1463-9076

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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