Preprint
A new family of seniority-restricted coupled cluster methods
Abstract
We introduce a novel class of coupled cluster (CC) methods that leverage the seniority concept to enhance efficiency and accuracy in electronic structure calculations. While existing approaches, such as the pair coupled cluster doubles (pCCD) method, are limited to seniority-zero (Ω = 0) wavefunctions,1 we propose a more flexible framework: seniority-restricted coupled cluster (sr-CC). This new methodology selectively constrains the seniority …
Authors
Miranda-Quintana RNA; Lokhande R; de Moura CEV; Zsigmond K; Ayers PW
Publication date
September 18, 2025
DOI
10.48550/arxiv.2509.15314
Preprint server
arXiv