{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,15]],"date-time":"2026-03-15T01:39:29Z","timestamp":1773538769291,"version":"3.50.1"},"reference-count":46,"publisher":"AIP Publishing","issue":"2","funder":[{"DOI":"10.13039\/100000015","name":"U.S. Department of Energy","doi-asserted-by":"publisher","award":["DE-SC0001393"],"award-info":[{"award-number":["DE-SC0001393"]}],"id":[{"id":"10.13039\/100000015","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["CHE-0846899"],"award-info":[{"award-number":["CHE-0846899"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2012,7,14]]},"abstract":"<jats:p>This work extends the theory of coherent resonance energy transfer [S. Jang, J. Chem. Phys.\u2008131, 164101 (2009)]10.1063\/1.3247899 by including quantum mechanical inelastic effects due to modulation of donor-acceptor electronic coupling. Within the approach of the second order time local quantum master equation (QME) in the polaron picture and under the assumption that the bath degrees of freedom modulating the electronic coupling are independent of other modes, a general time evolution equation for the reduced system density operator is derived. Detailed expressions for the relaxation operators and inhomogeneous terms of the QME are then derived for three specific models of modulation in distance, axial angle, and dihedral angle, which are all approximated by harmonic oscillators. Numerical tests are conducted for a set of model parameters. Model calculation shows that the torsional modulation can make significant contribution to the relaxation and dephasing mechanisms.<\/jats:p>","DOI":"10.1063\/1.4732309","type":"journal-article","created":{"date-parts":[[2012,7,9]],"date-time":"2012-07-09T23:47:15Z","timestamp":1341877635000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":13,"title":["Polaronic quantum master equation theory of inelastic and coherent resonance energy transfer for soft systems"],"prefix":"10.1063","volume":"137","author":[{"given":"Lei","family":"Yang","sequence":"first","affiliation":[{"name":"Queens College of the City University of New York Department of Chemistry and Biochemistry, , 65-30 Kissena Boulevard, Flushing, New York 11367, USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Murali","family":"Devi","sequence":"additional","affiliation":[{"name":"Queens College of the City University of New York Department of Chemistry and Biochemistry, , 65-30 Kissena Boulevard, Flushing, New York 11367, USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Seogjoo","family":"Jang","sequence":"additional","affiliation":[{"name":"Queens College of the City University of New York Department of Chemistry and Biochemistry, , 65-30 Kissena Boulevard, Flushing, New York 11367, USA"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"317","published-online":{"date-parts":[[2012,7,9]]},"reference":[{"key":"2023070122554960800_c1","doi-asserted-by":"publisher","first-page":"2327","DOI":"10.1021\/jp983722+","volume":"103","year":"1999","journal-title":"J. Phys. Chem. B"},{"key":"2023070122554960800_c2","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1017\/S0033583501003754","volume":"35","year":"2002","journal-title":"Q. Rev. Biophys."},{"key":"2023070122554960800_c3","doi-asserted-by":"publisher","first-page":"137","DOI":"10.1016\/S0370-1573(00)00078-8","volume":"343","year":"2001","journal-title":"Phys. Rep."},{"key":"2023070122554960800_c4","doi-asserted-by":"publisher","first-page":"227","DOI":"10.1017\/S0033583506004434","volume":"39","year":"2006","journal-title":"Q. Rev. Biophys."},{"key":"2023070122554960800_c5","doi-asserted-by":"publisher","first-page":"681","DOI":"10.1103\/RevModPhys.73.681","volume":"73","year":"2000","journal-title":"Rev. Mod. Phys."},{"key":"2023070122554960800_c6","doi-asserted-by":"publisher","first-page":"4619","DOI":"10.1021\/jp036120l","volume":"108","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"2023070122554960800_c7","doi-asserted-by":"publisher","first-page":"454","DOI":"10.1063\/1.1481760","volume":"117","year":"2002","journal-title":"J. Chem. Phys."},{"key":"2023070122554960800_c8","doi-asserted-by":"publisher","first-page":"10594","DOI":"10.1021\/jp050792p","volume":"109","year":"2005","journal-title":"J. Phys. Chem. B"},{"key":"2023070122554960800_c9","doi-asserted-by":"publisher","first-page":"369","DOI":"10.1126\/science.1164016","volume":"323","year":"2009","journal-title":"Science"},{"key":"2023070122554960800_c10","doi-asserted-by":"publisher","first-page":"217","DOI":"10.1146\/annurev.physchem.57.032905.104557","volume":"57","year":"2006","journal-title":"Annu. Rev. Phys. Chem."},{"key":"2023070122554960800_c11","first-page":"55","volume":"6","year":"1948","journal-title":"Ann. Phys."},{"key":"2023070122554960800_c12","doi-asserted-by":"publisher","first-page":"4744","DOI":"10.1021\/ja0488784","volume":"127","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"2023070122554960800_c13","doi-asserted-by":"publisher","first-page":"214505","DOI":"10.1063\/1.3140273","volume":"130","year":"2009","journal-title":"J. Chem. Phys."},{"key":"2023070122554960800_c14","doi-asserted-by":"publisher","first-page":"6583","DOI":"10.1021\/jp900708f","volume":"113","year":"2009","journal-title":"J. Phys. Chem. B"},{"key":"2023070122554960800_c15","doi-asserted-by":"publisher","first-page":"49","DOI":"10.1080\/0144235X.2010.537060","volume":"30","year":"2011","journal-title":"Int. Rev. Phys. Chem."},{"key":"2023070122554960800_c16","doi-asserted-by":"publisher","first-page":"252","DOI":"10.1021\/jp983477u","volume":"103","year":"1999","journal-title":"J. Phys. Chem. B"},{"key":"2023070122554960800_c17","doi-asserted-by":"publisher","first-page":"319","DOI":"10.1016\/S0301-0104(01)00538-9","volume":"275","year":"2002","journal-title":"Chem. Phys."},{"key":"2023070122554960800_c18","doi-asserted-by":"publisher","first-page":"218301","DOI":"10.1103\/PhysRevLett.92.218301","volume":"92","year":"2004","journal-title":"Phys. Rev. Lett."},{"key":"2023070122554960800_c19","doi-asserted-by":"publisher","first-page":"174710","DOI":"10.1063\/1.2779031","volume":"127","year":"2007","journal-title":"J. Chem. Phys."},{"key":"2023070122554960800_c20","doi-asserted-by":"publisher","first-page":"101104","DOI":"10.1063\/1.2977974","volume":"129","year":"2008","journal-title":"J. Chem. Phys."},{"key":"2023070122554960800_c21","doi-asserted-by":"publisher","first-page":"164101","DOI":"10.1063\/1.3247899","volume":"131","year":"2009","journal-title":"J. Chem. Phys."},{"key":"2023070122554960800_c22","doi-asserted-by":"publisher","first-page":"034105","DOI":"10.1063\/1.3608914","volume":"135","year":"2011","journal-title":"J. Chem. Phys."},{"key":"2023070122554960800_c23","doi-asserted-by":"publisher","first-page":"146404","DOI":"10.1103\/PhysRevLett.103.146404","volume":"103","year":"2009","journal-title":"Phys. Rev. Lett."},{"key":"2023070122554960800_c24","doi-asserted-by":"publisher","first-page":"114501","DOI":"10.1063\/1.3636081","volume":"135","year":"2011","journal-title":"J. Chem. Phys."},{"key":"2023070122554960800_c25","doi-asserted-by":"publisher","first-page":"154112","DOI":"10.1063\/1.3652227","volume":"135","year":"2011","journal-title":"J. Chem. Phys."},{"key":"2023070122554960800_c26","doi-asserted-by":"publisher","first-page":"6468","DOI":"10.1021\/ja0609405","volume":"128","year":"2006","journal-title":"J. Am. Chem. Soc."},{"key":"2023070122554960800_c27","doi-asserted-by":"publisher","first-page":"680","DOI":"10.1021\/ja056469h","volume":"128","year":"2006","journal-title":"J. Am. Chem. Soc."},{"key":"2023070122554960800_c28","doi-asserted-by":"publisher","first-page":"124516","DOI":"10.1063\/1.2841474","volume":"128","year":"2008","journal-title":"J. Chem. Phys."},{"key":"2023070122554960800_c29","doi-asserted-by":"publisher","first-page":"16777","DOI":"10.1021\/ja101544x","volume":"132","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"2023070122554960800_c30","doi-asserted-by":"publisher","first-page":"654","DOI":"10.1016\/j.cplett.2003.08.003","volume":"374","year":"2003","journal-title":"Chem. Phys. Lett."},{"key":"2023070122554960800_c31","doi-asserted-by":"publisher","first-page":"2754","DOI":"10.1002\/anie.200351177","volume":"42","year":"2003","journal-title":"Angew. Chem. Int. Ed."},{"key":"2023070122554960800_c32","doi-asserted-by":"publisher","first-page":"139","DOI":"10.1016\/j.cplett.2011.04.037","volume":"508","year":"2011","journal-title":"Chem. Phys. Lett."},{"key":"2023070122554960800_c33","volume-title":"Charge and Energy Transfer Dynamics in Molecular Systems","year":"2011"},{"key":"2023070122554960800_c34","doi-asserted-by":"publisher","first-page":"16911","DOI":"10.1021\/ja103303u","volume":"132","year":"2010","journal-title":"J. Am. Chem. Soc."},{"key":"2023070122554960800_c35","doi-asserted-by":"publisher","first-page":"325","DOI":"10.1016\/0003-4916(59)90002-8","volume":"8","year":"1959","journal-title":"Ann. Phys."},{"key":"2023070122554960800_c36","doi-asserted-by":"publisher","first-page":"343","DOI":"10.1016\/0003-4916(59)90003-X","volume":"8","year":"1959","journal-title":"Ann. Phys."},{"key":"2023070122554960800_c37","doi-asserted-by":"publisher","first-page":"2615","DOI":"10.1063\/1.447055","volume":"80","year":"1984","journal-title":"J. Chem. Phys."},{"key":"2023070122554960800_c38","doi-asserted-by":"publisher","first-page":"1069","DOI":"10.1063\/1.449469","volume":"83","year":"1985","journal-title":"J. Chem. Phys."},{"key":"2023070122554960800_c39","doi-asserted-by":"publisher","first-page":"4809","DOI":"10.1063\/1.460565","volume":"94","year":"1991","journal-title":"J. Chem. Phys."},{"key":"2023070122554960800_c40","doi-asserted-by":"publisher","first-page":"4193","DOI":"10.1063\/1.445096","volume":"78","year":"1983","journal-title":"J. Chem. Phys."},{"key":"2023070122554960800_c41","doi-asserted-by":"publisher","first-page":"114713","DOI":"10.1063\/1.2894840","volume":"128","year":"2008","journal-title":"J. Chem. Phys."},{"key":"2023070122554960800_c42","doi-asserted-by":"publisher","first-page":"2705","DOI":"10.1063\/1.1445105","volume":"116","year":"2002","journal-title":"J. Chem. Phys."},{"key":"2023070122554960800_c43","doi-asserted-by":"publisher","first-page":"12427","DOI":"10.1021\/jp106542v","volume":"114","year":"2010","journal-title":"J. Phys. Chem. B"},{"key":"2023070122554960800_c44","doi-asserted-by":"publisher","first-page":"8609","DOI":"10.1021\/jp202619a","volume":"115","year":"2011","journal-title":"J. Phys. Chem. B"},{"key":"2023070122554960800_c45","volume-title":"Quantum Dissipative Systems","year":"1993"},{"key":"2023070122554960800_c46","doi-asserted-by":"publisher","first-page":"1683","DOI":"10.1021\/jp2094609","volume":"116","year":"2012","journal-title":"J. Phys. Chem. A"}],"container-title":["The Journal of Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/1.4732309\/15450671\/024101_1_online.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/1.4732309\/15450671\/024101_1_online.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,7,1]],"date-time":"2023-07-01T22:56:03Z","timestamp":1688252163000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.aip.org\/jcp\/article\/137\/2\/024101\/315888\/Polaronic-quantum-master-equation-theory-of"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2012,7,9]]},"references-count":46,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2012,7,14]]}},"URL":"https:\/\/doi.org\/10.1063\/1.4732309","relation":{},"ISSN":["0021-9606","1089-7690"],"issn-type":[{"value":"0021-9606","type":"print"},{"value":"1089-7690","type":"electronic"}],"subject":[],"published-other":{"date-parts":[[2012,7,14]]},"published":{"date-parts":[[2012,7,9]]},"article-number":"024101"}}