Yuri Alexandre Aoto

How To Arrive at Accurate Benchmark Values for Transition Metal Compounds: Computation or Experiment?

Yuri Alexandre Aoto, Ana Paula de Lima Batista, Andreas Köhn et al. · Journal of Chemical Theory and Computation · 2017 · 152 citations

Internally contracted multireference coupled-cluster theory in a multistate framework

Yuri Alexandre Aoto, Andreas Köhn · The Journal of Chemical Physics · 2016 · 40 citations

Spectral Theory, Cluster Computing, Bloch Equations +15

Perturbation Expansion of Internally Contracted Coupled-Cluster Theory up to Third Order

Yuri Alexandre Aoto, Arne Bargholz, Daniel Kats et al. · Journal of Chemical Theory and Computation · 2019 · 20 citations

Spectral Theory, Cluster Science, Engineering +14

Predicting New Molecular Species of Potential Interest to Atmospheric Chemistry: The Isomers HSBr and HBrS

Yuri Alexandre Aoto, Fernando R. Ornellas · The Journal of Physical Chemistry A · 2006 · 17 citations

Improved and simplified orthogonalisation scheme and connected triples correction within the internally contracted multireference coupled-cluster method

Andreas Köhn, Joshua A. Black, Yuri Alexandre Aoto et al. · Molecular Physics · 2020 · 17 citations

Cluster Science, Cluster Amplitudes, Multireference Coupled-cluster Method +15