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The last 5 uploaded publications
Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory
Dimitrios G. Liakos, Manuel Sparta, Manoj K. Kesharwani, Jan M. L. Martin, Frank Neese (2015). Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory. Journal of Chemical Theory and Computation, 11(4), pp. 1525-1539, DOI: 10.1021/ct501129s.
Article297 days agoA double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database
Axel D Becke, Golokesh Santra, Jan M. L. Martin (2023). A double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database. , 158(15), DOI: https://doi.org/10.1063/5.0141238.
Article59 days agoA double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database
Axel D Becke, Golokesh Santra, Jan M. L. Martin (2023). A double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database. , DOI: https://doi.org/10.48550/arxiv.2301.01187.
Preprint59 days ago