28 citations · 40 across the 2 of their papers we have counts for
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physics.chem-ph2022★ 12 cited
Overcoming positivity violations for density matrices in surface hopping
Anna S. Bondarenko, Roel Tempelaar
Fewest-switches surface hopping (FSSH) has emerged as one of the leading methods for modeling the quantum dynamics of molecular systems. While its original formulation was limited…
physics.chem-ph2020★ 28 cited
Exciton localization in tubular molecular aggregates: size effects and optical response
Anna S. Bondarenko, Thomas L. C. Jansen, Jasper Knoester
We study the exciton localization and resulting optical response for disordered tubular aggregates of optically active molecules. It has been shown previously that such tubular str…