Low-order scaling local electron correlation methods. I. Linear scaling local MP2
✍ Scribed by Schütz, Martin; Hetzer, Georg; Werner, Hans-Joachim
- Book ID
- 120058693
- Publisher
- American Institute of Physics
- Year
- 1999
- Tongue
- English
- Weight
- 485 KB
- Volume
- 111
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.479957
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📜 SIMILAR VOLUMES
The approximate 'resolution of the identity' second-order many-body perturbation theory method (RI-MP2) recently introduced by Feyereisen, Fitzgerald and Komornicki utilizes a combination of two-and three-center integrals to approximate the usual four-center two-electron repulsion integrals. Like th
## 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