Publication: Uhlirova et al (2024) - Cholesky decomposition in spin-free Dirac-Coulomb Coupled-Cluster calculation

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Publication 1
Title of related publication
Cholesky decomposition in spin-free Dirac-Coulomb Coupled-Cluster calculation
Year of related publication
2024
DOI of related publication (not DOI of data resources)
10.1021/acs.jpca.4c04353
Funding DFG Project No. 233630050-TRR146
Subproject Project B5: Multi-resolution methods including quantum chemistry, force fields, and hybrid particle-field schemes
Cooperation partner(s) Johannes Gutenberg University Mainz
Responsible Person's Name (PI) Prof. Dr. Jürgen Gauss
Responsible Person's Email for further data requests gauss@uni-mainz.de
Responsible Person's Affiliation Department of Chemistry, Johannes Gutenberg University Mainz, Germany