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SplitGAS Method for Strong Correlation and the Challenging Case of Cr 2

✍ Scribed by Li Manni, Giovanni; Ma, Dongxia; Aquilante, Francesco; Olsen, Jeppe; Gagliardi, Laura


Book ID
120518554
Publisher
American Chemical Society
Year
2013
Tongue
English
Weight
361 KB
Volume
9
Category
Article
ISSN
1549-9618

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Periodic local MP2 method for the study
✍ Cesare Pisani; Lorenzo Maschio; Silvia Casassa; Migen Halo; Martin SchΓΌtz; Denis πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 319 KB

## Abstract A computational technique for solving the MP2 equations for periodic systems using a local‐correlation approach and implemented in the CRYSCOR code is presented. The Hartree‐Fock solution provided by the CRYSTAL program is used as a reference. The motivations for the implementation of t