A perturbative approach to multireference equation-of-motion coupled cluster
نویسندگان
چکیده
We introduce a variant of the multireference equation-of-motion coupled-cluster (MR-EOMCC) method where amplitudes used for similarity transformations are estimated from perturbation theory...
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ژورنال
عنوان ژورنال: Molecular Physics
سال: 2021
ISSN: ['1362-3028', '0026-8976']
DOI: https://doi.org/10.1080/00268976.2021.1939185