𝔖 Bobbio Scriptorium
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The AGP wavefunction and its relation to other descriptions of electronic structure

✍ Scribed by J. V. Ortiz; Brian Weiner; Yngve Öhrn


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
614 KB
Volume
20
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES


The gradient of a molecular wavefunction
✍ P. Lazzeretti; R. Zanasi 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 302 KB

The elecnic shielding 01 a nucleus in a molecule can be expressed m Iemu of Ihe gradlent of the molecular warefunctlon. This gradienl can be cvalua1cd analylically via perturbalion theory. introducing the Hamikoman in the acceleraCon gauge. Consider a neutral molecule with n electrons and N nuclei,