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Magnetic properties of molecular systems: A nonlocal spin density functional study

✍ Scribed by I.Lado Touriño; F. Tsobnang; A. Le Méhauté


Book ID
117627251
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
449 KB
Volume
10
Category
Article
ISSN
0927-0256

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Density functional study of atomic elect
✍ N. A. Cordero; J. A. Alonso 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 164 KB 👁 2 views

We present in this work self-consistent density functional theory DFT calculations on atomic electron affinities performed with nonlocal exchange and a local Coulomb correlation functionals. The exchange functionals are the weighted spin-density Ž . Ž . approximation WSDA symmetrized following the i