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We present a four-component relativistic unitary coupled cluster method for molecules. We have used commutator-based non-perturbative approximation using the ''Bernoulli expansion'' to derive an approximation to the relativistic unitary coupled clust
Externí odkaz:
http://arxiv.org/abs/2401.04794
Autor:
Majee, Kamal, Chakraborty, Sudipta, Mukhopadhyay, Tamoghna, Nayak, Malaya K., Dutta, Achintya Kumar
Publikováno v:
Journal of Chemical Physics; 7/21/2024, Vol. 161 Issue 3, p1-16, 16p
