GFCCLib: scalable and efficient coupled-cluster Green's function library for accurately tackling many-body electronic structure problems

DOI10.1016/J.CPC.2021.108000arXiv2010.04768MaRDI QIDQ6098374

Sriram Krishnamoorthy, Ajay Panyala, Karol Kowalski, Bo Peng

Publication date: 13 June 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2010.04768

zbMATH Keywords

Green's functionfullerenehigh-performance computingcoupled cluster

Mathematics Subject Classification ID

Quantum theory (81-XX) Statistical mechanics, structure of matter (82-XX)

Cites Work

• \texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations
• Dynamical mean-field theory for correlated electrons
• GMRES: A Generalized Minimal Residual Algorithm for Solving Nonsymmetric Linear Systems

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