Loading publications…
The last 5 uploaded publications
Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions
Libor Veis, Andrej Antalík, Jiří Brabec, Frank Neese, Örs Legeza, Jiřı́ Pittner (2016). Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions. The Journal of Physical Chemistry Letters, 7(20), pp. 4072-4078, DOI: 10.1021/acs.jpclett.6b01908.
Article169 days agoA Local Pair Natural Orbital-Based Multireference Mukherjee’s Coupled Cluster Method
Ondřej Demel, Jiřı́ Pittner, Frank Neese (2015). A Local Pair Natural Orbital-Based Multireference Mukherjee’s Coupled Cluster Method. Journal of Chemical Theory and Computation, 11(7), pp. 3104-3114, DOI: 10.1021/acs.jctc.5b00334.
Article169 days agoDomain-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 agoCorrection to Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions
Libor Veis, Andrej Antalík, Jiří Brabec, Frank Neese, Örs Legeza, Jiřı́ Pittner (2016). Correction to Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions. , 8 (1), DOI: https://doi.org/10.1021/acs.jpclett.6b02912.
Corrigendum49 days ago