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Publication: Melega et al (2026) - A novel implementation of CCSD analytic...
Data related to Melega, L., Nottoli, T., Gauss, J.& Lipparini, F (2026): J. Phys. Chem. A 130, 2097-2111 (2026); Doi:10.1021/acs.jpca.5c08579 (open ac-cess) -
Blaschke et al (2024) - Efficient approximate screening techniques for...
Data related to Blaschke, S., Kitsaras, M.-P. & Stopkowicz, S (2024): Phys. Chem. Chem. Phys. 26, 28828-28848. -
Publication: Zhang et al (2024) - Cholesky Decomposition-Based...
Data related to Zhang, C., Lipparini, F, Stopkowicz, S., Gauss & J., Cheng (2024): J. Chem. Theory Comput. 20, 787-798. Doi: 10.1021/acs.jctc.3c01236 -
Publication: Nottoli et al (2023) - A novel coupled-cluster singles and...
Data related to the publication