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- W2996677614 endingPage "1187" @default.
- W2996677614 startingPage "1175" @default.
- W2996677614 abstract "In order to study Förster resonance energy transfer (FRET), the fragment molecular orbital (FMO) method is extended to compute electronic couplings between local excitations via the excited state transition density model, enabling efficient calculations of nonlocal excitations in a large molecular system and overcoming the previous limitation of being able to compute only local excitations. The results of these simple but accurate models are validated against full quantum calculations without fragmentation. The developed method is applied to a very important photosynthetic pigment–protein complex, the Fenna–Matthews–Olson complex (FMOc), that is responsible for the energy transfer from a chlorosome to the reaction center in the green sulfur bacteria. Absorption and circular dichroism spectra of FMOc are simulated, and the role of the molecular environment on the excitations is revealed." @default.
- W2996677614 created "2019-12-26" @default.
- W2996677614 creator A5019531275 @default.
- W2996677614 creator A5022753285 @default.
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- W2996677614 creator A5057581232 @default.
- W2996677614 creator A5058792328 @default.
- W2996677614 creator A5059326336 @default.
- W2996677614 date "2019-12-16" @default.
- W2996677614 modified "2023-10-15" @default.
- W2996677614 title "FMOxFMO: Elucidating Excitonic Interactions in the Fenna–Matthews–Olson Complex with the Fragment Molecular Orbital Method" @default.
- W2996677614 cites W1805686156 @default.
- W2996677614 cites W1966689114 @default.
- W2996677614 cites W1972459763 @default.
- W2996677614 cites W1975723203 @default.
- W2996677614 cites W1976499671 @default.
- W2996677614 cites W1977964292 @default.
- W2996677614 cites W1979364399 @default.
- W2996677614 cites W1980809949 @default.
- W2996677614 cites W1982972906 @default.
- W2996677614 cites W1986318301 @default.
- W2996677614 cites W2000500972 @default.
- W2996677614 cites W2002150668 @default.
- W2996677614 cites W2003400771 @default.
- W2996677614 cites W2003636705 @default.
- W2996677614 cites W2004319949 @default.
- W2996677614 cites W2009688314 @default.
- W2996677614 cites W2010303162 @default.
- W2996677614 cites W2012839646 @default.
- W2996677614 cites W2015059472 @default.
- W2996677614 cites W2015926027 @default.
- W2996677614 cites W2022855606 @default.
- W2996677614 cites W2022950330 @default.
- W2996677614 cites W2023813727 @default.
- W2996677614 cites W2026172453 @default.
- W2996677614 cites W2032949795 @default.
- W2996677614 cites W2033172935 @default.
- W2996677614 cites W2033777798 @default.
- W2996677614 cites W2035569458 @default.
- W2996677614 cites W2035687084 @default.
- W2996677614 cites W2041834359 @default.
- W2996677614 cites W2041920447 @default.
- W2996677614 cites W2042487980 @default.
- W2996677614 cites W2046545247 @default.
- W2996677614 cites W2052573265 @default.
- W2996677614 cites W2065587382 @default.
- W2996677614 cites W2067174909 @default.
- W2996677614 cites W2067930799 @default.
- W2996677614 cites W2072100637 @default.
- W2996677614 cites W2076135251 @default.
- W2996677614 cites W2080407968 @default.
- W2996677614 cites W2086861895 @default.
- W2996677614 cites W2090793006 @default.
- W2996677614 cites W2093457695 @default.
- W2996677614 cites W2118622794 @default.
- W2996677614 cites W2119922038 @default.
- W2996677614 cites W2129750096 @default.
- W2996677614 cites W2131960322 @default.
- W2996677614 cites W2132629607 @default.
- W2996677614 cites W2147993766 @default.
- W2996677614 cites W2148425143 @default.
- W2996677614 cites W2149978813 @default.
- W2996677614 cites W2163577561 @default.
- W2996677614 cites W2164054628 @default.
- W2996677614 cites W2175881464 @default.
- W2996677614 cites W217666600 @default.
- W2996677614 cites W2204638111 @default.
- W2996677614 cites W2269194966 @default.
- W2996677614 cites W2294641594 @default.
- W2996677614 cites W2314969497 @default.
- W2996677614 cites W2315243347 @default.
- W2996677614 cites W2317641515 @default.
- W2996677614 cites W2321294811 @default.
- W2996677614 cites W2324806557 @default.
- W2996677614 cites W2341199841 @default.
- W2996677614 cites W2341937684 @default.
- W2996677614 cites W2343350413 @default.
- W2996677614 cites W2345839951 @default.
- W2996677614 cites W2346527399 @default.
- W2996677614 cites W2404280981 @default.
- W2996677614 cites W2410639623 @default.
- W2996677614 cites W2413726045 @default.
- W2996677614 cites W2442395212 @default.
- W2996677614 cites W2463707650 @default.
- W2996677614 cites W2469760199 @default.
- W2996677614 cites W2470936315 @default.
- W2996677614 cites W2489001162 @default.
- W2996677614 cites W2493799904 @default.
- W2996677614 cites W2508845168 @default.
- W2996677614 cites W2514538596 @default.
- W2996677614 cites W2583649102 @default.
- W2996677614 cites W2587459164 @default.
- W2996677614 cites W2596869311 @default.
- W2996677614 cites W2602957258 @default.
- W2996677614 cites W2687583174 @default.
- W2996677614 cites W2696237939 @default.
- W2996677614 cites W2738701545 @default.
- W2996677614 cites W2751401708 @default.