{"id":186,"date":"2025-01-08T11:01:34","date_gmt":"2025-01-08T11:01:34","guid":{"rendered":"https:\/\/pages.constructor.university\/photocam\/?page_id=186"},"modified":"2025-09-22T18:19:10","modified_gmt":"2025-09-22T18:19:10","slug":"project-7","status":"publish","type":"page","link":"https:\/\/pages.constructor.university\/photocam\/persons-involved\/project-7\/","title":{"rendered":"Project 7"},"content":{"rendered":"\n

Charge transfer states and higher excited states in light-harvesting<\/h1>\n\n\n\n

Johannes Kepler University Linz, Austria<\/h2>\n\n\n\n
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Principal Investigator:
Prof. Dr. Thomas Renger<\/strong><\/p>\n\n\n\n

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Doctoral Candidate
Krishna P. Siwakoti<\/strong><\/p>\n\n\n\n

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Proyect Description:<\/h2>\n\n\n\n

This research project deals with charge transfer and higher excited states in photosynthetic pigment-protein complexes. We want to study how the coupling between charge transfer states and excited states influences the optical and energy\/electron transfer properties. For this purpose the complexes are investigated by quantum mechanics\/molecular mechanics techniques (QM\/MM) in combination with a diabatization that allows to map the eigenstates of the quantum chemical calculation of pigment pairs and larger pigment aggregates onto an effective Frenkel exciton\/charge transfer Hamiltonian that can be used to calculate optical spectra and energy\/electron transfer. As a first application, we will investigate electron transfer in open and closed reaction centers of photosystem II. In a next step, we want to investigate the so-called red states of photosystem I, which exhibit a red shifted absorption. Our hypothesis is that the coupling between excited states and charge transfer states is responsible for the red shift. Again we will apply a QM\/MM method with diabatization, this time on chlorophyll dimers and one trimer of the photosystem I antenna. Ultimately, we plan to investigate how the light-harvesting efficiency of photosystem I is affected by the red states.<\/p>\n\n\n\n

Publications:<\/h2>\n\n\n\n
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  1.  Gemeinhardt, F. G., Lahav, Y., Schapiro, I., Noy, D., M\u00fch, F., Lindorfer, D., & Renger, T. (2023). Short-Range Effects in the Special Pair of Photosystem II Reaction Centers: The Nonconservative Nature of Circular Dichroism. The Journal of Physical Chemistry Letters<\/em>, 14<\/em>(51), 11758-11767.<\/li>\n<\/ol>\n","protected":false},"excerpt":{"rendered":"

    Charge transfer states and higher excited states in light-harvesting Johannes Kepler University Linz, Austria Principal Investigator: Prof. Dr. Thomas Renger Doctoral Candidate Krishna P. Siwakoti Proyect Description: This research project deals with charge transfer and higher excited states in photosynthetic<\/p>\n","protected":false},"author":38,"featured_media":0,"parent":26,"menu_order":7,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-186","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/pages.constructor.university\/photocam\/wp-json\/wp\/v2\/pages\/186","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/pages.constructor.university\/photocam\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/pages.constructor.university\/photocam\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/pages.constructor.university\/photocam\/wp-json\/wp\/v2\/users\/38"}],"replies":[{"embeddable":true,"href":"https:\/\/pages.constructor.university\/photocam\/wp-json\/wp\/v2\/comments?post=186"}],"version-history":[{"count":9,"href":"https:\/\/pages.constructor.university\/photocam\/wp-json\/wp\/v2\/pages\/186\/revisions"}],"predecessor-version":[{"id":214,"href":"https:\/\/pages.constructor.university\/photocam\/wp-json\/wp\/v2\/pages\/186\/revisions\/214"}],"up":[{"embeddable":true,"href":"https:\/\/pages.constructor.university\/photocam\/wp-json\/wp\/v2\/pages\/26"}],"wp:attachment":[{"href":"https:\/\/pages.constructor.university\/photocam\/wp-json\/wp\/v2\/media?parent=186"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}