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Green function method for calculating properties of static magnetic fields

✍ Scribed by Stefan Engström


Publisher
John Wiley and Sons
Year
2001
Tongue
English
Weight
213 KB
Volume
22
Category
Article
ISSN
0197-8462

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Suitability of density functional method
✍ Soliva, Robert; Orozco, Modesto; Luque, F. Javier 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 234 KB 👁 2 views

A systematic analysis was performed on the suitability of the Ž . molecular electrostatic potential MEP and MEP-derived properties determined Ž . by means of density functional DFT methods. Attention was paid to the Ž . electrostatic potential ESP derived charges, the ESP and exact quantum mechanica