## Abstract A detailed analysis of a severe intruder state problem in the multistate multireference perturbation theory (MS‐MRPT) calculations on the ground state of manganese dimer is presented. An enormous number of detected intruder states (> 5000) do not permit finding even an approximate shape
✦ LIBER ✦
Multireference perturbation theory can predict a false ground state
✍ Scribed by Camacho, Cristopher; Cimiraglia, Renzo; Witek, Henryk A.
- Book ID
- 121702716
- Publisher
- Royal Society of Chemistry
- Year
- 2010
- Tongue
- English
- Weight
- 1024 KB
- Volume
- 12
- Category
- Article
- ISSN
- 1463-9076
- DOI
- 10.1039/c000196a
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