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The Journal of Chemical Physics|October 21, 2011
An overlap fitted chain of spheres exchange methodRóbert Izsák, Frank NeeseThe Journal of Chemical Physics|September 14, 2013
Robust fitting techniques in the chain of spheres approximation to the Fock exchange: The role of the complementary spaceRóbert Izsák, Frank Neese, Wim KlopperThe Journal of Chemical Physics|January 24, 2016
Speeding up equation of motion coupled cluster theory with the chain of spheres approximationAchintya Kumar Dutta, Frank Neese, Róbert IzsákThe Journal of Chemical Physics|June 10, 2017
A simple scheme for calculating approximate transition moments within the equation of motion expectation value formalismAchintya Kumar Dutta, Frank Neese, Róbert IzsákThe Journal of Chemical Physics|July 25, 2016
Towards a pair natural orbital coupled cluster method for excited statesAchintya Kumar Dutta, Frank Neese, Róbert IzsákThe Journal of Chemical Physics|January 22, 2018
On the theoretical prediction of fluorescence rates from first principles using the path integral approachBernardo de Souza, Frank Neese, Róbert IzsákJournal of Chemical Theory and Computation|May 26, 2021
Fragment-Based Local Coupled Cluster Embedding Approach for the Quantification and Analysis of Noncovalent Interactions: Exploring the Many-Body Expansion of the Local Coupled Cluster EnergySoumen Ghosh, Frank Neese, Róbert Izsák, et al.Inorganic Chemistry|June 27, 2019
Accurate Band Gap Predictions of Semiconductors in the Framework of the Similarity Transformed Equation of Motion Coupled Cluster TheoryAnneke Dittmer, Róbert Izsák, Frank Neese, et al.Journal of Chemical Theory and Computation|November 26, 2019
Unveiling the Photophysical Properties of Boron-dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster MethodRomain Berraud-Pache, Frank Neese, Giovanni Bistoni, et al.Journal of Chemical Theory and Computation|December 6, 2017
Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation EnergiesAchintya Kumar Dutta, Marcel Nooijen, Frank Neese, et al.Pageof 56