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Domain-Based Local Pair Natural Orbital Version of Mukherjee’s State-Specific Coupled Cluster Method
Jiří Brabec, Jakub Lang, Masaaki Saitow, Jiřı́ Pittner, Frank Neese, Ondřej Demel (2018). Domain-Based Local Pair Natural Orbital Version of Mukherjee’s State-Specific Coupled Cluster Method. Journal of Chemical Theory and Computation, 14(3), pp. 1370-1382, DOI: 10.1021/acs.jctc.7b01184.
Article169 days agoPerturbative triples correction to domain-based local pair natural orbital variants of Mukherjee's state specific coupled cluster method
Jakub Lang, Jiří Brabec, Masaaki Saitow, Jiřı́ Pittner, Frank Neese, Ondřej Demel (2019). Perturbative triples correction to domain-based local pair natural orbital variants of Mukherjee's state specific coupled cluster method. Physical Chemistry Chemical Physics, 21(9), pp. 5022-5038, DOI: 10.1039/c8cp03577f.
Article169 days ago