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Resolution of identity approximation for the Coulomb term in molecular and periodic systems

✍ Scribed by Burow, Asbjörn M.; Sierka, Marek; Mohamed, Fawzi

Book ID
121702740
Publisher
American Institute of Physics
Year
2009
Tongue
English
Weight
279 KB
Volume
131
Category
Article
ISSN
0021-9606

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📜 SIMILAR VOLUMES

An improvement of the resolution of the
An improvement of the resolution of the identity approximation for the formation of the Coulomb matrix
✍ Frank Neese 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 254 KB

## Abstract A straightforward modification of the resolution of the identity (RI) approximation to the Coulomb interaction is described. In the limit of basis sets that are dominated by high angular momentum functions the observed speedups in realistic test systems reach a factor of 2 compared to t