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Pseudospectral Mo̸ller–Plesset perturbation theory through third order

✍ Scribed by Martinez, Todd J.; Carter, Emily A.


Book ID
118132150
Publisher
American Institute of Physics
Year
1994
Tongue
English
Weight
935 KB
Volume
100
Category
Article
ISSN
0021-9606

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Improved third-order Møller–Plesset pert
✍ Stefan Grimme 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 122 KB

## Abstract Based on a partitioning of the total correlation energy into contributions from parallel‐ and antiparallel‐spin pairs of electrons, a modified third‐order Møller–Plesset (MP) perturbation theory is developed. The method, termed SCS–MP3 (SCS for spin‐component‐scaled) continues previous