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Finite perturbation theory-density functional theory calculation of the spin-dipolar contribution to NMR spin-spin coupling constants

✍ Scribed by PERALTA, JUAN E.; BARONE, VERÓNICA; RUIZ DE AZÚA, MARTÍN C.; CONTRERAS, RUBÉN H.


Book ID
121501576
Publisher
Taylor and Francis Group
Year
2001
Tongue
English
Weight
624 KB
Volume
99
Category
Article
ISSN
0026-8976

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A density functional theory of the Fermi
✍ Christopher J. Grayce; Robert A. Harris 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 224 KB

The authors' magnetic field density functional theory is extended to include electron spin-dependent interactions. Coupling the new theory with traditional spin density functional theory in the local limit yields a linear differential equation for the net spin density. The coefficients in the equat