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Large configuration interaction calculations of nuclear spin—spin coupling constants. I. HD molecule

✍ Scribed by J. Kowalewski; B. Roos; P. Siegbahn; R. Vestin

Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
678 KB
Volume
3
Category
Article
ISSN
0301-0104

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The Calculation of Indirect Nuclear Spin
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✍ Mark A. Watson; Paweł Sałek; Peter Macak; Michał Jaszuński; Trygve Helgaker 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 372 KB 👁 1 views

## Abstract We present calculations of indirect nuclear spin–spin coupling constants in large molecular systems, performed using density functional theory. Such calculations, which have become possible because of the use of linear‐scaling techniques in the evaluation of the Coulomb and exchange‐cor