Publications

Izsák, R.; Neese, F.; Klopper, W. Robust Fitting Techniques in the Chain of Spheres Approximation to the Fock Exchange: The Role of the Complementary Space. The Journal of Chemical Physics 2013, 139, 094111.

Liakos, D. G.; Izsák, R.; Valeev, E. F.; Neese, F. What is the most Efficient Way to Reach the Canonical MP2 Basis Set Limit? Molecular Physics 2013, 111, 2653–2662.

Pandelia, M.-E.; Bykov, D.; Izsak, R.; Infossi, P.; Giudici-Orticoni, M.-T.; Bill, E.; Neese, F.; Lubitz, W. Reply to Mouesca et al.: Electronic Structure of the Proximal [4Fe-3S] Cluster of O₂-Tolerant [NiFe] Hydrogenases. Proceedings of the National Academy of Sciences of the United States of America 2013, 110, E2539.

Izsák, R.; Neese, F. Speeding up Spin-Component-Scaled Third-Order Pertubation Theory with the Chain of Spheres Approximation: the COSX-SCS-MP3 Method. Molecular Physics 2013, 111, 1190–1195.

Pandelia, M.-E.; Bykov, D.; Izsak, R.; Infossi, P.; Giudici-Orticoni, M.-T.; Bill, E.; Neese, F.; Lubitz, W. Electronic Structure of the Unique [4Fe-3S] Cluster in O₂-Tolerant Hydrogenases Characterized by ⁵⁷Fe Mössbauer and EPR Spectroscopy. Proceedings of the National Academy of Sciences of the United States of America 2013, 110, 483–488.