Effect of Electron Correlation on Long-Range Proton Ssin-Spin Couplings in Saturated Hydrocarbon Molecules

Eiko Hiroike

doi:10.1143/JPSJ.39.753

Abstract

Effect of the electron correlation on long-range proton spin-spin couplings is investigated by utilizing the modified Hartree-Fock operator. It is shown that the electron correlation in the ground singlet state of a molecule plays an important role in the evaluation of the coupling constant.

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