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Löwdin's pairing theorem and some of its applications

✍ Scribed by Mayer, I.


Book ID
120038749
Publisher
Taylor and Francis Group
Year
2010
Tongue
English
Weight
129 KB
Volume
108
Category
Article
ISSN
0026-8976

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📜 SIMILAR VOLUMES


Overlap repulsion with Löwdin's pairing
✍ A. Hamza; I. Mayer 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 210 KB

Recently, we derived an explicit analytical expression for the Heitler-London interaction energy between two "unperturbed" closed-shell molecules treated at the single determinant level, by using Löwdin's pairing theorem. Inspection of the results of the numerical calculations showed that for hydrog