DMRG-Tailored Coupled Cluster Method in the 4c-Relativistic Domain: General Implementation and Application to the NUHFI and NUF3 Molecules

DMRG-Tailored Coupled Cluster Method in the 4c-Relativistic Domain: General Implementation and Application to the NUHFI and NUF3 Molecules

Jakub Višňák, Jan Brandejs, Mihály Máté, Lucas Visscher, Örs Legeza, Jiří Pittner

DOI Link
https://pubs.acs.org/doi/10.1021/acs.jctc.4c00641
Published