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Calculation of Coulomb energy differences

✍ Scribed by Jørgen Damgaard; C.K. Scott; E. Osnes

Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
502 KB
Volume
154
Category
Article
ISSN
0375-9474

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📜 SIMILAR VOLUMES

Efficient calculation of short-range Cou
Efficient calculation of short-range Coulomb energies
✍ Adamson, Ross D.; Dombroski, Jeremy P.; Gill, Peter M. W. 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 190 KB

An efficient algorithm for the calculation of short-range Coulomb energies is examined. The algorithm uses a boxing scheme and a prescreening for negligible integrals to evaluate the short-range Coulomb energy via computational work that scales only linearly with the size of the system.