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Assessment of <scp>DLPNO‐CCSD</scp> (T)‐ <scp>F12</scp> and its use for the formulation of the <scp>low‐cost</scp> and reliable <scp>L‐W1X</scp> composite method
- Source :
- Journal of Computational Chemistry. 43:1394-1402
- Publication Year :
- 2022
- Publisher :
- Wiley, 2022.
-
Abstract
- In the present study, we have investigated the performance of RIJCOSX DLPNO-CCSD(T)-F12 methods for a wide range of systems. Calculations with a high-accuracy option ["DefGrid3 RIJCOSX DLPNO-CCSD(T
- Subjects :
- Computational Mathematics
Quantum Theory
General Chemistry
Subjects
Details
- ISSN :
- 1096987X and 01928651
- Volume :
- 43
- Database :
- OpenAIRE
- Journal :
- Journal of Computational Chemistry
- Accession number :
- edsair.doi.dedup.....e5cba1390799314acae202333f2def76