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Indirect nuclear spin–spin coupling constants from multiconfiguration linear response theory

✍ Scribed by Vahtras, Olav; Ågren, Hans; Jo̸rgensen, Poul; Jo̸rgen Aa. Jensen, Hans; Padkjær, So̸ren B.; Helgaker, Trygve


Book ID
115315006
Publisher
American Institute of Physics
Year
1992
Tongue
English
Weight
662 KB
Volume
96
Category
Article
ISSN
0021-9606

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Indirect nuclear spin-spin coupling cons
✍ Preben Albertsen; Poul Jørgensen; Danny L. Yeager 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 348 KB

The multiconfigurational coupled Hartree-Fock expression for the Fermi contact contnbution to the indirect nuclear spin-spin coupling constants is derived. Numerical calculations on Hz and FH indicate that the nuclear spin-spin coupling is \er)i difficult to describe in finite basis set calculations