{"id":219,"date":"2026-02-09T12:02:37","date_gmt":"2026-02-09T11:02:37","guid":{"rendered":"https:\/\/people.unipi.it\/lorenzo_cupellini\/?p=219"},"modified":"2026-02-10T18:34:09","modified_gmt":"2026-02-10T17:34:09","slug":"how-good-are-approximate-lineshape-theories-for-multichromophoric-systems","status":"publish","type":"post","link":"https:\/\/people.unipi.it\/lorenzo_cupellini\/how-good-are-approximate-lineshape-theories-for-multichromophoric-systems\/","title":{"rendered":"How good are approximate lineshape theories for multichromophoric systems?"},"content":{"rendered":"\n

Modeling optical spectra of multichromophoric<\/em> systems requires capturing the interplay between excitonic and vibronic dynamics. In our latest study, we benchmark several approximate lineshape theories against numerically exact calculations, using chlorophyll dimers in WSCP and the light-harvesting complex CP29. <\/p>\n\n\n

\n
\"\"<\/a><\/figure>\n<\/div>\n\n\n

We show that the well\u2011known suppression of vibronic sidebands originates primarily from the Markov approximation applied to off\u2011diagonal system\u2013bath couplings<\/strong>, rather than from the perturbative order of the theory. Non\u2011Markovian cumulant approaches instead reproduce vibronic intensities and exciton\u2013vibration renormalization. Fluorescence spectra are even more sensitive to these approximations, motivating the development of new equations for efficient non\u2011Markovian fluorescence calculations<\/strong>. Overall, this work defines the reliability range of approximate lineshape theories and clarifies when more accurate treatments are required for interpreting PPC spectra.<\/p>\n\n\n\n

P. Saraceno, A. Bhartiya, J. Seibt, T. Renger, T. Kramer, L. Cupellini,
Evaluation of approximate lineshape theories for photosynthetic light-harvesting antennae<\/strong>
J. Chem. Phys. <\/em>2026<\/strong>, 164<\/em>, 044119, DOI: 10.1063\/5.0310361<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

Modeling optical spectra of multichromophoric systems requires capturing the interplay between excitonic and vibronic dynamics. In our latest study, we…<\/p>\n

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