Publications
Journal Article (5)
2020
Journal Article
Sirohiwal, A.; Berraud-Pache, R.; Neese, F.; Izsák, R.; Pantazis, D. A. Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods. The Journal of Physical Chemistry B 2020, 124, 8761–8771.
Journal Article
Ghosh, S.; ; ; Berraud-Pache, R.; Izsák, R. A New Density for Transition Properties Within the Similarity Transformed Equation of Motion Approach. Molecular Physics 2020, 118, e1818858.
Journal Article
Demoulin, B.; Izsák, R.; ; A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods. Journal of Chemical Theory and Computation 2020, 16, 4213–4225.
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Journal Article
Izsák, R. Single‐Reference Coupled Cluster Methods for Computing Excitation Energies in Large Molecules: The Efficiency and Accuracy of Approximations. Wiley Interdisciplinary Reviews: Computational Molecular Science 2020, 10, e1445.
Journal Article
Berraud-Pache, R.; Neese, F.; Bistoni, G.; Izsák, R. Unveiling the Photophysical Properties of Boron-Dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster Method. Journal of Chemical Theory and Computation 2020, 16, 564–575.