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Background MRCC
Andreas Koehn edited this page Dec 18, 2021
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A nice overview can be found in the PhD thesis of Mathias Hanauer: https://dx.doi.org/10.25358/openscience-2706
A recent summary of the theory of icMRCCSD(T) is presented in:
- Köhn, A., Black, J. A., Aoto, Y. A., Hanauer, M. "Improved and simplified orthogonalisation scheme and connected triples correction within the internally contracted multireference coupled-cluster method" Molecular Physics 118, e1743889 (2020) https://dx.doi.org/10.1080/00268976.2020.1743889