𝔖 Bobbio Scriptorium
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Some investigations of the MP2-R12 method

✍ Scribed by Michael J. Bearpark; Nicholas C. Handy; Roger D. Amos; Paul E. Maslen

Book ID
105077342
Publisher
Springer
Year
1991
Tongue
English
Weight
558 KB
Volume
79
Category
Article
ISSN
1432-2234

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The MP2-F12 method in the TURBOMOLE prog
The MP2-F12 method in the TURBOMOLE program package
✍ RafaΕ‚ A. Bachorz; Florian A. Bischoff; Andreas Glâß; Christof HΓ€ttig; Sebastian πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 291 KB

## Abstract A detailed description of the explicitly correlated second‐order MΓΈller–Plesset perturbation theory (MP2‐F12) method, as implemented in the TURBOMOLE program package, is presented. The TURBOMOLE implementation makes use of density fitting, which greatly reduces the prefactor for integra