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Combining Internally Contracted States and Matrix Product States To Perform Multireference Perturbation Theory.
Sharma S, Knizia G, Guo S, Alavi A. Sharma S, et al. J Chem Theory Comput. 2017 Feb 14;13(2):488-498. doi: 10.1021/acs.jctc.6b00898. Epub 2017 Jan 31. J Chem Theory Comput. 2017. PMID: 28060507
The new methods are the second order variant of the recently proposed multireference linearized coupled cluster method (MRLCC) [ Sharma, S.; Alavi, A. J. Chem. Phys. 2015 , 143 , 102815 ] and of N-electron valence perturbation theory (NEVPT2), with expected accuraci …
The new methods are the second order variant of the recently proposed multireference linearized coupled cluster method (MRLCC) [ Sharma …
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