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A combined effective fragment potential–fragment molecular orbital method. I. The energy expression and initial applications

✍ Scribed by Nagata, Takeshi; Fedorov, Dmitri G.; Kitaura, Kazuo; Gordon, Mark S.


Book ID
121801227
Publisher
American Institute of Physics
Year
2009
Tongue
English
Weight
783 KB
Volume
131
Category
Article
ISSN
0021-9606

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Electrostatic energy in the effective fr
✍ Lyudmila V. Slipchenko; Mark S. Gordon 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 673 KB

## Abstract Evaluation of the electrostatic energy within the effective fragment potential (EFP) method is presented. The performance of two variants of the distributed multipole analysis (DMA) together with two different models for estimating the charge penetration energies was studied using six h