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Erich Hückel and Friedrich Hund—Pioneers in quantum chemistry

✍ Scribed by Robert G. Parr


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
531 KB
Volume
12
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES


Spin-free quantum chemistry. XVII. The H
✍ F. A. Matsen 📂 Article 📅 1976 🏛 John Wiley and Sons 🌐 English ⚖ 447 KB

## Abstract We have developed a many‐body version of Woodward–Hoffmann theory which is capable of rapid computation of π‐electronic surfaces. This theory, called the Hückel–Hubbard theory, employs Hückel parameters as reaction coordinates and the Hubbard parameter for electron repulsion. We apply i