40 citations · 60 across the 3 of their papers we have counts for
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FragPT2: Multi-Fragment Wavefunction Embedding with Perturbative Interactions
Emiel Koridon, Souloke Sen, Lucas Visscher +1
Embedding techniques allow the efficient description of correlations within localized fragments of large molecular systems, while accounting for their environment at a lower level…
Characterization of Excited States in Time-Dependent Density Functional Theory Using Localized Molecular Orbitals
Souloke Sen, Bruno Senjean, Lucas Visscher
Localized molecular orbitals are often used for the analysis of chemical bonds, but they can also serve to efficiently and comprehensibly compute linear response properties. While…
Generalization of intrinsic orbitals to Kramers-paired quaternion spinors, molecular fragments and valence virtual spinors
Bruno Senjean, Souloke Sen, Michal Repisky +2
Localization of molecular orbitals finds its importance in the representation of chemical bonding (and anti-bonding) and in the local correlation treatments beyond mean-field appro…