Geminal nuclear spinndash;spin couplings in ABnhyphen;type molecular systems

摘要

An approximate formula for the secondhyphen;order perturbation energy previously obtained by the author is applied to the calculation of geminal nuclear spinndash;spin couplings in ABnhyphen;type molecular systems. It is shown why the electron correlation is unusually important in the geminal couplings. The signs ofcisandtransgeminal couplings are discussed for the AB6hyphen;type molecular systems.