How to renormalize coupled cluster theory
Z. H. Sun, C. A. Bell, G. Hagen, T. Papenbrock

TL;DR
This paper introduces a renormalization approach within coupled cluster theory to effectively include three-body correlations, improving accuracy for various nuclei without the high computational cost of triples calculations.
Contribution
It proposes a novel renormalization method for three-body interactions in coupled cluster theory, enhancing accuracy while maintaining computational efficiency.
Findings
Accurate CCSD results for multiple nuclei achieved
Renormalization captures dominant three-body effects
Method reduces computational cost compared to triples inclusion
Abstract
Coupled cluster theory is an attractive tool to solve the quantum many-body problem because its singles and doubles (CCSD) approximation is computationally affordable and yields about 90% of the correlation energy. Capturing the remaining 10%, e.g. via including triples, is numerically expensive. Here we assume that short-range three-body correlations dominate and - following Lepage [How to renormalize the Schr\"odinger equation, arXiv:nucl-th/9706029] - that their effects can be included within CCSD by renormalizing the three-body contact interaction. We renormalize this contact in O and obtain accurate CCSD results for O, Ne, Ca, Ni, Zr, and Sn.
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Taxonomy
TopicsHigh-pressure geophysics and materials · Advanced Chemical Physics Studies · Advanced Condensed Matter Physics
