Generalized quantum kinetic expansion: Higher-order corrections to multichromophoric Förster theory
For a general two-cluster energy transfer network, a new methodology of the generalized quantum kinetic expansion (GQKE) method is developed, which predicts an exact time-convolution equation for the cluster population evolution under the initial condition of the local cluster equilibrium state. The...
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| Veröffentlicht in: | The Journal of chemical physics 2015-08, Vol.143 (7), p.074102-074102 |
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| container_end_page | 074102 |
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| container_issue | 7 |
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| container_title | The Journal of chemical physics |
| container_volume | 143 |
| creator | Wu, Jianlan Gong, Zhihao Tang, Zhoufei |
| description | For a general two-cluster energy transfer network, a new methodology of the generalized quantum kinetic expansion (GQKE) method is developed, which predicts an exact time-convolution equation for the cluster population evolution under the initial condition of the local cluster equilibrium state. The cluster-to-cluster rate kernel is expanded over the inter-cluster couplings. The lowest second-order GQKE rate recovers the multichromophoric Förster theory (MCFT) rate. The higher-order corrections to the MCFT rate are systematically included using the continued fraction resummation form, resulting in the resummed GQKE method. The reliability of the GQKE methodology is verified in two model systems, revealing the relevance of higher-order corrections. |
| doi_str_mv | 10.1063/1.4928634 |
| format | Article |
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The cluster-to-cluster rate kernel is expanded over the inter-cluster couplings. The lowest second-order GQKE rate recovers the multichromophoric Förster theory (MCFT) rate. The higher-order corrections to the MCFT rate are systematically included using the continued fraction resummation form, resulting in the resummed GQKE method. The reliability of the GQKE methodology is verified in two model systems, revealing the relevance of higher-order corrections.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/1.4928634</identifier><identifier>PMID: 26298110</identifier><language>eng</language><publisher>United States: American Institute of Physics</publisher><subject>Bacterial Proteins - chemistry ; Bacteriochlorophylls - chemistry ; CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS ; Clusters ; CONTINUED FRACTIONS ; Convolution ; CORRECTIONS ; Couplings ; ENERGY TRANSFER ; EQUATIONS ; EQUILIBRIUM ; EVOLUTION ; EXPANSION ; Fluorescence Resonance Energy Transfer ; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ; KERNELS ; Kinetics ; Light-Harvesting Protein Complexes - chemistry ; Models, Chemical ; Physics ; Quantum Theory ; RELIABILITY</subject><ispartof>The Journal of chemical physics, 2015-08, Vol.143 (7), p.074102-074102</ispartof><rights>2015 AIP Publishing LLC.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c341t-e8a1ebbfe18965cf883c4c8dfb6a54b0c7be6e8fe55a29886f31f6ef9bd7c8ac3</citedby><cites>FETCH-LOGICAL-c341t-e8a1ebbfe18965cf883c4c8dfb6a54b0c7be6e8fe55a29886f31f6ef9bd7c8ac3</cites><orcidid>0000-0002-9643-633X</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,780,784,885,27924,27925</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/26298110$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink><backlink>$$Uhttps://www.osti.gov/biblio/22493527$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Wu, Jianlan</creatorcontrib><creatorcontrib>Gong, Zhihao</creatorcontrib><creatorcontrib>Tang, Zhoufei</creatorcontrib><title>Generalized quantum kinetic expansion: Higher-order corrections to multichromophoric Förster theory</title><title>The Journal of chemical physics</title><addtitle>J Chem Phys</addtitle><description>For a general two-cluster energy transfer network, a new methodology of the generalized quantum kinetic expansion (GQKE) method is developed, which predicts an exact time-convolution equation for the cluster population evolution under the initial condition of the local cluster equilibrium state. The cluster-to-cluster rate kernel is expanded over the inter-cluster couplings. The lowest second-order GQKE rate recovers the multichromophoric Förster theory (MCFT) rate. The higher-order corrections to the MCFT rate are systematically included using the continued fraction resummation form, resulting in the resummed GQKE method. The reliability of the GQKE methodology is verified in two model systems, revealing the relevance of higher-order corrections.</description><subject>Bacterial Proteins - chemistry</subject><subject>Bacteriochlorophylls - chemistry</subject><subject>CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS</subject><subject>Clusters</subject><subject>CONTINUED FRACTIONS</subject><subject>Convolution</subject><subject>CORRECTIONS</subject><subject>Couplings</subject><subject>ENERGY TRANSFER</subject><subject>EQUATIONS</subject><subject>EQUILIBRIUM</subject><subject>EVOLUTION</subject><subject>EXPANSION</subject><subject>Fluorescence Resonance Energy Transfer</subject><subject>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</subject><subject>KERNELS</subject><subject>Kinetics</subject><subject>Light-Harvesting Protein Complexes - chemistry</subject><subject>Models, Chemical</subject><subject>Physics</subject><subject>Quantum Theory</subject><subject>RELIABILITY</subject><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2015</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNpF0ctO3DAUBmCrKirDtAteoIrUTVkEfEkcuzuEykUaiQ1dW45z3BgSe7AdCfpgvAAvVlczhZUX_vzr-PwIHRN8SjBnZ-S0kVRw1nxAK4KFrDsu8Ue0wpiSWnLMD9FRSvcYY9LR5hM6pJxKQQheoeEKPEQ9uT8wVI-L9nmZqwfnITtTwdNW--SC_1Fdu98jxDrEAWJlQoxgcrlIVQ7VvExFjzHMYTuGWB5evr7ElIvMI4T4_BkdWD0l-LI_1-jX5c-7i-t6c3t1c3G-qQ1rSK5BaAJ9b4EIyVtjhWCmMWKwPddt02PT9cBBWGhbXeYX3DJiOVjZD50R2rA1-rbLDSk7lYzLYEYTvC_DKkobyVraFfV9p7YxPC6QsppdMjBN2kNYkiId5m3Xsg6_B77R-7BEX_6gKKFN2TWXbVEnO2ViSCmCVdvoZh2fFcHqX0GKqH1BxX7dJy79DMOb_N8I-wsIRIz2</recordid><startdate>20150821</startdate><enddate>20150821</enddate><creator>Wu, Jianlan</creator><creator>Gong, Zhihao</creator><creator>Tang, Zhoufei</creator><general>American Institute of Physics</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><scope>7X8</scope><scope>OTOTI</scope><orcidid>https://orcid.org/0000-0002-9643-633X</orcidid></search><sort><creationdate>20150821</creationdate><title>Generalized quantum kinetic expansion: Higher-order corrections to multichromophoric Förster theory</title><author>Wu, Jianlan ; Gong, Zhihao ; Tang, Zhoufei</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c341t-e8a1ebbfe18965cf883c4c8dfb6a54b0c7be6e8fe55a29886f31f6ef9bd7c8ac3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2015</creationdate><topic>Bacterial Proteins - chemistry</topic><topic>Bacteriochlorophylls - chemistry</topic><topic>CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS</topic><topic>Clusters</topic><topic>CONTINUED FRACTIONS</topic><topic>Convolution</topic><topic>CORRECTIONS</topic><topic>Couplings</topic><topic>ENERGY TRANSFER</topic><topic>EQUATIONS</topic><topic>EQUILIBRIUM</topic><topic>EVOLUTION</topic><topic>EXPANSION</topic><topic>Fluorescence Resonance Energy Transfer</topic><topic>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</topic><topic>KERNELS</topic><topic>Kinetics</topic><topic>Light-Harvesting Protein Complexes - chemistry</topic><topic>Models, Chemical</topic><topic>Physics</topic><topic>Quantum Theory</topic><topic>RELIABILITY</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Wu, Jianlan</creatorcontrib><creatorcontrib>Gong, Zhihao</creatorcontrib><creatorcontrib>Tang, Zhoufei</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><collection>OSTI.GOV</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Wu, Jianlan</au><au>Gong, Zhihao</au><au>Tang, Zhoufei</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Generalized quantum kinetic expansion: Higher-order corrections to multichromophoric Förster theory</atitle><jtitle>The Journal of chemical physics</jtitle><addtitle>J Chem Phys</addtitle><date>2015-08-21</date><risdate>2015</risdate><volume>143</volume><issue>7</issue><spage>074102</spage><epage>074102</epage><pages>074102-074102</pages><issn>0021-9606</issn><eissn>1089-7690</eissn><abstract>For a general two-cluster energy transfer network, a new methodology of the generalized quantum kinetic expansion (GQKE) method is developed, which predicts an exact time-convolution equation for the cluster population evolution under the initial condition of the local cluster equilibrium state. 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| ispartof | The Journal of chemical physics, 2015-08, Vol.143 (7), p.074102-074102 |
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| subjects | Bacterial Proteins - chemistry Bacteriochlorophylls - chemistry CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS Clusters CONTINUED FRACTIONS Convolution CORRECTIONS Couplings ENERGY TRANSFER EQUATIONS EQUILIBRIUM EVOLUTION EXPANSION Fluorescence Resonance Energy Transfer INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY KERNELS Kinetics Light-Harvesting Protein Complexes - chemistry Models, Chemical Physics Quantum Theory RELIABILITY |
| title | Generalized quantum kinetic expansion: Higher-order corrections to multichromophoric Förster theory |
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