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Sergei Tretiak

Publications

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2012

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J. Clark, T. Nelson, S. Tretiak, G. Cirmi, and G. Lanzani, ”Femtosecond Torsional Relaxation”, Nature Physics, 8, 225 – 231 (2012).

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Related News & Views: PDF file [300K]

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S. A. Fischer, A. M. Crotty, S. Kilina, S. Ivanov, and S. Tretiak, Passivating ligand and solvent contributions to the electronic properties of semiconductor nanocrystals”, Nanoscale, 4, 904 – 914 (2012).

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T. Nelson, S. F. Alberti, V. Chernyak, A. E. Roitberg, and S. Tretiak, Nonadiabatic Excited-State Molecular Dynamics (NA-ESMD). Numerical tests of convergence and parameters”, J. Chem. Phys., 136, 054108 (2012).

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S. Goel, K.A. Velizhanin, A. Piryatinski, S.A. Ivanov, and S. Tretiak, Ligand Effects on Optical Absorption of Small Gold Clusters: A TDDFT Study”, J. Phys. Chem. B, 116, 3242 – 3249 (2012).

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2011

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P. Yang, S. Tretiak, S. Ivanov, ”Influence of Surfactants and Charges on CdSe Quantum Dots”, J. Clust. Sci, 22, 405 – 431 (2011).

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V.V. Albert, S. Ivanov, S. Tretiak and S. Kilina, Electronic Structure of Ligated CdSe Clusters: Dependence on DFT Methodology”, J. Phys. Chem. B, 115, 15793 – 15800 (2011).

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V.V. Albert, E. Badaeva, S. Kilina, M. Sykora, and S. Tretiak ”The Frenkel Exciton Hamiltonian for Functionalized Ru(II)-bpy Complexes”, J. Lum., 131, 1739 – 1746 (2011).

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A. Y. Koposov, T. Cardolaccia, V.V. Albert, E. Badaeva, S. Kilina, T. J. Meyer, S. Tretiak, and M. Sykora ”Formation of Assemblies Comprising Ru-polypyridine Complexes and CdSe Nanocrystals Studied by ATR-FTIR Spectroscopy and DFT Modeling”, Langmuir, 27, 8377 - 8383 (2011).

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J.G. Duque, H. Chen, A.K. Swan, A.P. Shreve, S. Kilina, S. Tretiak, X. Tu, M. Zheng, S.K. Doorn ”Violation of the Condon Approximation in Semiconducting Carbon Nanotubes”, ACS Nano, 5, 5233 – 5241 (2011).

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V. Chernyak, J. Knoester, and S. Tretiak, Tribute to Shaul Mukamel”, J. Phys. Chem. B, 115, 5037 – 5038 (2011).

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H. Li, C. Wu, S. Malinin, S. Tretiak, and V. Chernyak, Exciton Scattering on Branching Centers in Conjugated Molecules”, J. Phys. Chem. B, 115, 5465 – 5475 (2011).

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T. Nelson, S. F. Alberti, V. Chernyak, A. Roitberg, and S. Tretiak, ”The NA-ESMD modeling of photoinduced dynamics in conjugated molecules”, J. Phys. Chem. B, 115, 5402 – 5414 (2011).

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S. Kilina, D. A. Yarotski, A. A. Talin, S. Tretiak, A. J. Taylor and A. V. Balatsky, ”Unveiling Stability Criteria of DNA-Carbon Nanotubes Constructs by Scanning Tunneling Microscopy and Computational Modeling”, J. Drug. Delivery, 2011, 415621 (2011).

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I. Nayyar, E. Batista, S. Tretiak, A. Saxena, D.L. Smith, R.L. Martin, ”Localization of electronic excitations in conjugated polymers studied by DFT”, J. Phys. Chem. Lett., 2, 566 – 571 (2011).

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T. Kobayashi, J. Du, F. Wei, K. Yoshino, S. Tretiak, A. Saxena, and A. R. Bishop, ”Observation of breather and soliton in a substituted polythiophene with a degenerate ground state”, Phys. Status Solidi, 8, 74 – 9 (2011).

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H. Wettach, S. Hger, D. Chaudhuri, J.M. Lupton, F. Liu, E.M. Lupton, S. Tretiak, S. De Feyter, and S. Forster, ”Synthesis and Properties of a Triphenylene-Butadiinylene Macrocycle, J. Mater. Chem., 21, 1404 – 1415 (2011).

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2010

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T. Kobayashi, J. Du, W. Feng, K. Yoshino, S. Tretiak, A. Saxena and A. R. Bishop, ”Observation of breather excitons in a substituted polythiophene with a degenerate ground state”, Phys. Rev. B, 81, 075205 (2010).

PDF file [800K]

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S. Goel, K. A. Velizhanin, A. Piryatinski, S. Tretiak and S. A. Ivanov, ”DFT Study of Ligand Binding to Small Gold Clusters”, J. Phys. Chem. Lett., 1, 927 - 931 (2010).

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H. Li, S. Malinin, S. Tretiak, and V. Chernyak, Exciton scattering approach for branched conjugated molecules and complexes. IV. Transition dipoles and optical spectra”, J. Chem. Phys., 132, 124103 (2010).

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C. Katan, M. Charlot, O. Mongin, C. Le Droumaguet, V. Jouikov, F. Terenziani, E. Badaeva, S. Tretiak and M. Blanchard-Desce, ”Simultaneous Control of Emission Localization and Two-photon Absorption Efficiency in Dissymmetrical Chromophores”, J. Phys. Chem. B, 114, 3152-3169 (2010).

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C. Katan, S. Tretiak, and J. Even, Two-photon transitions in triazole based quadrupolar and octupolar chromophores: a TD-DFT investigation” in Nanophotonics III, edited by D.L. Andrews, J.-M. Nunzi, A. Ostendorf, Proceedings of SPIE Vol. 7712, 77123D (2010).

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J. Tao, S. Tretiak, and J.-X. Zhu, Prediction of Excitation Energies for Conjugated Oligomers and Polymers from Time-Dependent Density Functional Theory”, Materials, 3, 3430-3467 (2010).

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E. Badaeva, V. Albert, S. Kilina, M. Sykora, and S. Tretiak, ”Effect of deprotonation on absorption and emission spectra of Ru(II)-bpy complexes functionalized with carboxyl groups”, Phys. Chem. Chem. Phys., 12, 8902-8913 (2010).

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S. F. Alberti, V. Kleiman, S. Tretiak, A. Roitberg, Unidirectional energy transfer in conjugated molecules: the crucial role of high frequency C(triple)C bonds”, J. Phys. Chem. Lett., 1, 2699-2704 (2010).

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C. Katan, M. Blanchard-Desce, and S. Tretiak, Position isomerism on one and two photon absorption in multibranched chromophores: a TDDFT investigation”, J. Chem. Theory Comput., 6, 3410-3426 (2010).

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E. Badaeva, M.R. Harpham, R. Guda, O. Suzer, C.Ma, P. Bauerle, T. Goodson III, and S. Tretiak, ”Excited State Structure of Oligothiophene Dendrimers: Computational and Experimental Study”, J. Phys. Chem. B, 114 15808-15817 (2010).

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H. Li, C. Wu, S. Malinin, S. Tretiak, and V. Chernyak, Excited States of Donor and Acceptor Substituted Conjugated Oligomers: a Perspective from the Exciton Scattering Approach”, J. Phys. Chem. Lett., 1, 3396 - 3400 (2010).

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2009

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J. Tao, S. Tretiak, and J.-X. Zhu,Prediction of excitation energies for conjugated polymers using time-dependent time-dependent density functional theory”, Phys. Rev. B, 80, 235110 (2009).

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T. Korzdorfer, S. Tretiak, and S. Kummel, Fluorescence quenching in an organic donor-acceptor dyad: a first principles study”, J. Chem. Phys., 131, 034310 (2009).

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J. Tao, S. Tretiak, Optical absorptions of new blue-light emitting oligoquinolines bearing pyrenyl and triphenyl endgroups investigated with time-dependent density functional theory”, J. Chem. Theory and Comput., 5, 866-872 (2009).

PDF file [700K]

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S. F. Alberti, V. Kleiman, S. Tretiak, A. Roitberg, Nonadiabatic molecular dynamics simulations of the energy transfer between building blocks in a phenylene ethynylene dendrimer, J. Phys. Chem. A, 113, 7535-7542 (2009).

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S. Kilina, E. Badaeva, S. Tretiak, A. Piryatinski, A. Saxena, and A.R. Bishop, ”Bright and Dark Excitons in Semiconductor Carbon Nanotubes: Insights from electronic structure calculations”, Phys. Chem. Chem. Phys. (journal cover page) 21, 4113 - 4123 (2009).

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Related journal cover page: PDF file [200K]

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S. Kilina, S. Ivanov, and S. Tretiak Effect of Surface Ligands on Optical and Electronic Spectra of Semiconductor Nanoclusters, J. Am. Chem. Soc., 131, 7717-7726 (2009).

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V.K. Thorsmolle, R.D. Averitt, J. Demsar, D.L. Smith, S. Tretiak, R.L. Martin, X. Chi,

B.K. Crone, A.P. Ramirez and A.J. Taylor, Photoexcited carrier relaxation dynamics in pentacene probed by ultrafast optical spectroscopy: Influence of morphology on relaxation processes”, Physica B, 404, 3127-3130 (2009).

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C.Y. Wong, C. Curutchet, S. Tretiak, and G.D. Scholes, Ideal dipole approximation fails to predict electronic coupling between semiconducting single wall carbon nanotubes”, J. Chem. Phys., 130, 081104 (2009).

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S. Tretiak, C. Isborn, A.M. Niklasson, and W.M. Challacombe, Representation independent algorithms for molecular response calculations in time-dependent self-consistent field theories”, J. Chem. Phys., 130, 054111 (2009).

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D.A. Yarotski, S.V. Kilina, A. Talin, S. Tretiak, O.V. Prezhdo, A.V. Balatsky and A.J. Taylor ”Scanning tunneling microscopy of DNA-wrapped carbon nanotubes”, Nano Lett., 9, 12-17 (2009).

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V.K. Thorsmolle, R.D. Averitt, J. Demsar, D.L. Smith, S. Tretiak, R.L. Martin, X. Chi, B.K. Crone, A.P. Ramirez and A.J. Taylor, ”Ultrafast exciton dynamics in polyacene organic semiconductors”, Phys. Rev. Lett., 102, 017401 (2009).

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2008

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J. Tao, S. Tretiak, and J.-X. Zhu, Absorption spectra of blue-light emitting oligoquinolines from time-dependent density functional theory”, J. Phys. Chem. B, 112, 13701-13710 (2008).

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C. Wu, S. Malinin, S. Tretiak, and V. Chernyak, Exciton Scattering Approach for branched conjugated molecules and complexes III: Applications,” J. Chem. Phys., 129, 174113 (2008).

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C. Wu, S. Malinin, S. Tretiak, and V. Chernyak, Exciton Scattering Approach for branched conjugated molecules and complexes II: Retrieving Exciton Scattering parameters from quantum-chemical calculations,” J. Chem. Phys.,129, 174112 (2008).

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C. Wu, S. Malinin, S. Tretiak, and V. Chernyak, Exciton Scattering Approach for branched conjugated molecules and complexes I: Formalism,” J. Chem. Phys., 129, 174111 (2008).

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F. Terenziani, C. Katan, M. Blanchard-Desce, E. Badaeva, and S. Tretiak, Enhanced two-photon absorption of organic chromophores: theoretical and experimental assessments”, Adv. Mat. (Review Article, journal cover page), 20, 1-38 (2008).

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Related journal cover page: PDF file [500K]

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M.J. Lucero, A.M. Niklasson, S. Tretiak, and W.M. Challacombe, Molecular-Orbital- Free Algorithm for Excited States in Time-Dependent Perturbation Theory”, J. Chem. Phys., 129, 064114 (2008).

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P. Yang, S. Tretiak, A.E.Masunov, and S. Ivanov, ”Quantum Chemistry of the Minimal CdSe Clusters”, J. Chem. Phys., 129, 074709 (2008).

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S. Kilina, E.R. Batista, P. Yang, S. Tretiak, A. Saxena, R.L. Martin, and D.L. Smith ”Electronic structure of amorphous polyfluorene aggregates”, ACS Nano, 2, 1381-1388 (2008).

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K. Becker, E. Da Como, J. Feldmann, F. Scheliga, E. Thorn Csányi, S. Tretiak, J.M. Lupton, "How chromophore shape controls photophysical function in phenylene-vinylenes", J. Phys. Chem. B, 112, 4859-4864 (2008).

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Related News & Views: PDF file [170K]

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S. Kilina, S. Tretiak, S.K. Doorn, Z. Luo, F. Papadimitrakopoulos, A. Piryatinski, A. Saxena, R.L. Martin, and A.R. Bishop, "Cross-polarized Excitons of Carbon Nanotubes", Proc. Nat. Acad. Sci. USA, 105 6797-6802 (2008).

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A. Piryatinski, S. Tretiak, and V. Chernyak, "Dynamical variational approach to non-adiabatic electronic structure", Chem. Phys. 347 2538 (2008).

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M. Galperin and S. Tretiak, Linear optical response of current-carrying molecular junction: A NEGF-TDDFT approach”, J. Chem. Phys. 128, 124705 (2008).

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J. Tao, S. Tretiak, and J.-X. Zhu, Performance of a non-empirical meta-GGA density functional for excitation energies”, J. Chem. Phys. 128, 084110 (2008).

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C. Wu, S. Malinin, S. Tretiak, and V. Chernyak, Multiscale Modeling of Electronic Excitations in Branched Conjugated Molecules Using Exciton Scattering Approach”, Phys. Rev. Lett., 100, 057405 (2008).

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E. Badaeva and S. Tretiak Two photon absorption of extended substituted phenylenevinylene oligomers: a TDDFT study”, Chem. Phys. Lett., 450, 322-328 (2008).

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2007

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P. Yang, E. Batista, A. Saxena, R.L. Martin, S. Tretiak and D.L. Smith ”Effect of intra-molecular disorder and inter-molecular electronic interactions on the electronic structure of poly-p-phenylene vinylene (PPV)”, Phys. Rev. B (Rapid Comm.) 76, 241201 (2007).

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S. Kilina and S. Tretiak, Excitonic and vibrational properties of single-walled semiconducting carbon nanotubes”, Adv. Func. Mat. (Feature Article, journal cover page) 17, 3405-3420 (2007).

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Related journal cover page: PDF file [500K]

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S. Kilina, S. Tretiak, D. Yarotskii, J.X. Zhu, N. Modine, A. Taylor and A.V. Balatsky, ”Electronic properties of DNA base molecules adsorbed on a metallic surface”, J. Phys. Chem. C, 111, 14541-14551 (2007).

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K. Igumenshchev, S. Tretiak, and V. Chernyak, Excitonic effects in a time-dependent density functional theory”, J. Chem. Phys., 127, 114902 (2007).

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Z. Tang, N. Caculitan, M.S. Johal, P. Scudder, R.J. Magyar, S. Tretiak, and H.-L. Wang, A Study of the non-covalent interactions in Langmuir-Blodgett Films: An interplay between and dipole-dipole interactions,” Thin Solid Films, 516, 58-66 (2007).

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S.A. Ivanov, A. Piryatinski, J. Nanda, S. Tretiak, K. R. Zavadil, W. O. Wallace, D. Werder, V.I. Klimov, ”Type-II Core/Shell CdS/ZnSe nanocrystals: synthesis, electronic structures, and spectroscopic properties,”  J. Am. Chem. Soc., 129, 11708-11719 (2007).

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G.D. Scholes, S. Tretiak, T.J. McDonald, W.K. Metzger, C. Engtrakul, G. Rumbles, and M.J. Heben, ”Low-lying exciton states determine the photophysics of semiconducting single wall carbon nanotube”, J. Phys. Chem. C (journal cover page), 111, 11139-11149 (2007).

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Related journal cover page: PDF file [810K]

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S. Tretiak, Triplet absorption in carbon nanotubes: a TD-DFT study,” Nano Letters (journal cover page), 7, 2201-2206 (2007).

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Related journal cover page: PDF file [130K]

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C. Katan, F. Terenziani, C. Droumaguet, O. Mongin, M.H.V. Werts, A. Bain, E. Badaeva, S. Tretiak, and M. Blanchard-Desce, ”Two-photon transitions in quadrupolar and branched chromophores: experiment and theory”, J. Phys. Chem. A, 111, 9468 - 9483 (2007).

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A. Piryatinski, S. Tretiak, T.D. Sewell, and S.D. McGrane, Vibrational spectroscopy of polyatomic materials: Semiempirical calculations of anharmonic couplings and IR Raman linewidth in naphthalene and PETN crystals”, Phys. Rev. B, 75, 214306 - 214315 (2007).

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R. J. Magyar and S. Tretiak, The implications of spurious charge-transfer in TDDFT on the accurate description of large molecules and clusters,” J. Chem. Theory and Comput., 3, 976 - 987 (2007).

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A. Tamulis, V. I. Tsifrinovich, S. Tretiak, G. P. Berman, D. L. Allara, Neutral Radical Molecules Ordered in Self-Assembled Monolayer Systems for Quantum Information Processing”, Chem. Phys. Lett., 436, 144 - 149 (2007).

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P.T. Araujo, S.K. Doorn, S. Kilina, S. Tretiak, S. Maruyama, H. Chacham, M.A. Pimenta and A. Jorio, Study of the third and fourth optical levels in carbon nanotubes”, Phys. Rev. Lett., 98, 067401 (2007).

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A.P. Shreve, E.H. Haroz, S.M. Bachilo, R.B. Weisman, S. Tretiak, S. Kilina, and S.K. Doorn, ”Determination of Exciton-Phonon Coupling Elements in Single-Walled Carbon Nanotubes by Raman Overtone Analysis”, Phys. Rev. Lett., 98, 037405 (2007).

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C. Wu, S. Tretiak, and V. Chernyak, Excited states and optical response of a donor-acceptor substituted polyene: a TD-DFT study,” Chem. Phys. Lett., 433, 305 – 311 (2007).

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A. Piryatinski, S.A. Ivanov, S. Tretiak, and V.I. Klimov, Effect of Quantum and Dielectric Confinement on the Exciton-Exciton Interaction Energy in Type-II Core/Shell Semiconductor Nanocrystals,” Nano Letters, 7, 108 - 115 (2007).

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S. Tretiak, S. Kilina, A. Piryatinski, A. Saxena, R.L. Martin and A.R. Bishop, Excitons and Peierls distortion in conjugated carbon nanotubes,” Nano Letters, 7, 86 - 92 (2007).

 PDF file [630K]

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2006

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Z. Tang, R. K. Hicks, R. J. Magyar, S. Tretiak, Y. Gao, H.-L. Wang, Synthesis and Characterization of Amphiphilic Phenylene-Ethynylene Oligomers and Their Langmuir-Blodgett Films”, Langmuir, 22, 8813-8820 (2006).

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A. Piryatinski and S. Tretiak, Effect of Quantum and Dielectric Confinements on the Exciton-Exciton Interaction Energy in Type-II Core/Shell Semiconductor Nanocrystals,” SPIE Newsroom 8, 384 (2006).

PDF file [170K]

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C. Wu, S. Malinin, S. Tretiak, and V. Chernyak, Exciton scattering and localization in branched dendrimeric structures,” Nature Phys., 2, 631 - 635 (2006).

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Related News & Views: PDF file [150K]

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A. Gambetta, C. Manzoni, E. Menna, M. Meneghetti, G. Cerullo, G. Lanzani, S. Tretiak, A. Piryatinski, A. Saxena, R. L. Martin and A. R. Bishop, ”Real time observation of non-linear vibrational dynamics in semiconducting single wall carbon nanotubes,” Nature Phys., 2, 515-520 (2006).

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 J. Nanda, S. A. Ivanov, H. Htoon, I. Bezel, A. Piryatinski, S. Tretiak, and V. I. Klimov, ”Absorption cross sections and Auger recombination lifetimes in inverted core-shell nanocrystals: Implications for lasing performance”, J. Appl. Phys., 99, 034309 (2006).

PDF file [530K]

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J. F. Kauffman, J. M. Turner, I. V. Alabugin, B. Breiner, E. A. Badaeva, A. Masunov, and S. Tretiak, ”Two-photon excitation of substituted enediynes, J. Phys. Chem. A, 110, 241-251 (2006).

PDF file [320K]

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2005

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A. Piryatinski, M. Stepanov, S. Tretiak, and V. Chernyak, "Semiclassical scattering on conical intersections", Phys. Rev. Lett., 70, 223001 (2005).

PDF file [310K]

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C. Katan,  F. Terenziani, C. Le Droumaguet, O. Mongin, M. H. V. Werts, S. Tretiak, and Mireille Blanchard-Desce, "Branching of dipolar chromophores: effects on linear and nonlinear optical properties,"  Proc. SPIE Vol. 5935, p. 13-27 in Linear and Nonlinear Optics of Organic Materials V; Ed. Manfred Eich (2005).

PDF file [760K]

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E. A. Badaeva, T. V. Timofeeva, A. Masunov,  S. Tretiak, "Role of donor-acceptor strengths and separation on the two-photon absorption response of cytotoxic dyes: a TD-DFT study," J. Phys. Chem. A, 109, 7276 (2005).

PDF file [750K]

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A. Masunov, S. Tretiak, J. W. Hong, B. Liu, and G. C. Bazan, "Theoretical study of the effects of solvent environment on photophysical properties and electronic structure of paracyclophane chromophores", J. Chem. Phys., 122, 224505 (2005).

PDF file [1.1Mb]

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C. Katan, L. Porrès, O. Mongin, M. H. V. Werts, F. Terenziani, T. Pons, J. Mertz,  S. Tretiak, and M. Blanchard-Desce, "Effects of (multi)branching of dipolar chromophores on photophysical properties and two-photon absorption," J. Phys. Chem. A, 109, 3024 (2005).

PDF file [610K]

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S. Tretiak, K. Igumenshchev and V. Chernyak, "Exciton sizes of conducting polymers predicted by time-dependent density functional theory", Phys. Rev. B, 71, 033201 (2005).

 PDF file [610K]

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R. J. Magyar, S. Tretiak, Y.  Gao,  H.-L. 
Wang  and  A. P. Shreve, "A joint theoretical and experimental study of phenylene-acetylene molecular wires", Chem. Phys. Lett., 401, 149 (2005).

PDF file [600K]

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2004

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S. Tretiak, A. Piryatinski, A. Saxena, R. L. Martin, and A. R. Bishop, "On the existence of photoexcited breathers in conducting polymers," Phys. Rev. B, 70, 233203 (2004).

PDF file [64K]

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A. Piryatinski, S. Tretiak, A. Saxena, R. L. Martin, and A. R. Bishop "Three-pulse photon-echo spectroscopy as a probe of the photoexcited electronic state manifold in coupled electron-phonon system", Phys. Rev. B (Rapid Comm.), 70, 161404 (2004).

PDF file [240K]

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I. Franco and S. Tretiak,  "Electron-vibrational dynamics of photoexcited polyfluorenes," J. Am. Chem. Soc., 126, 12130 (2004).

PDF file [660K]

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G. P. Bartholomew, M. Rumi, S. J. K. Pond, J. W. Perry, S. Tretiak and G. C. Bazan "Two-photon absorption in three-dimensional chromophores based on [2.2] - Paracyclophane," J. Am. Chem. Soc., 126, 11529 (2004).

PDF file [210K]

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S. A. Ivanov, J. Nanda, A. Piryatinski, M. Achermann, L. P. Balet, I. V. Bezel, P. O. Anikeeva, S. Tretiak, and V. I. Klimov, "Light amplification using inverted core/shell nanocrystals: towards lasing in the single-exciton regime", J. Phys. Chem. B, 108, 10625 (2004).

PDF file [440K]

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 N. Kobko, A. Masunov and S. Tretiak, "Calculations of the third-order nonlinear optical responses in push-pull chromophores with a time-dependent density functional theory," Chem. Phys. Lett., 392, 444 (2004).

PDF file [334K]

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A. Masunov and S. Tretiak, "Prediction of two photon absorption properties for the large organic molecules using the time-dependent density functional theory," J. Phys. Chem. B, 108, 889 (2004).

PDF file [150K]

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2003

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A. M. Moran, A. Myers Kelley, and S. Tretiak, "Excited state molecular dynamics simulations of nonlinear push–pull chromophores," Chem. Phys. Lett., 367, 293 (2003).

PDF file [330K]

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S. Tretiak, R. L. Martin, A. Saxena, and A. R. Bishop, "Photoexcited breathers in conjugated polyenes: An excited state molecular dynamics study," Proc. Nat. Acad. Sci. USA, 100, 2185 (2003).

PDF file [400K]

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I. Franco and S. Tretiak, "Photoexcitation dynamics of polyfluorenes in the presence of chemical defects: a theoretical study," Chem. Phys. Lett., 372, 403  (2003).

PDF file [400K]

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S. Tretiak and V. Chernyak, "Resonant nonlinear polarizabilities in the time-dependent density functional (TDDFT) theory," J. Chem. Phys., 119, 8809 (2003).

PDF file [200K]

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S. Tretiak, R. L. Martin, A. Saxena, and A. R. Bishop, "Photoexcitation dynamics in polyconjugated molecules," Attidella Fondazione Giorgio Ronchi, ANNO-LVIII, 6, 819 (2003).

PDF file [170K]

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2002

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I. H. Campbell, D. L. Smith, S. Tretiak, R. L. Martin, C. J. Neef and J. P. Ferraris, "Excitation transfer processes in a phosphor-doped poly(p-phenylene vinylene) light-emitting diode," Phys. Rev. B, 6508, 5210 (2002).

PDF file [100K]

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S. Tretiak, R. L. Martin, A. Saxena, and A. R. Bishop, "Conformational dynamics of photoexcited conjugated molecules," Phys. Rev. Lett., 89, 97402 (2002).

PDF file [300K]

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S. Tretiak and S. Mukamel, "Density matrix analysis and simulation of electronic excitations in conjugated and aggregated molecules," Chem. Rev., 102, 3171 (2002). [REVIEW]

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S. A. Crooker, J. Hollingsworth, S. Tretiak, and V. I. Klimov, "Spectrally resolved dynamics of energy transfer in quantum-dot assemblies: Towards engineered energy flows in artificial materials," Phys. Rev. Lett., 89, 6802 (2002).

PDF file [550K]

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K. A. Nguyen, R. Pachter, S. Tretiak, V. Chernyak, and S. Mukamel, "Analysis of absorption spectra of zinc porphyrin, zinc meso-tetraphenylporphyrin, and halogenated derivatives," J. Phys. Chem. B, 106, 10285 (2002).

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S. Tretiak, R. L. Martin, A. Saxena, and A. R. Bishop, "Geometry relaxation of photoexcited states in conjugated molecules," Phase Transitions, 75, 725 (2002).

PDF file [130K]

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2001

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V. Chernyak, S. Tretiak, E. V. Tsiper, T. Meier, and S. Mukamel, "Semiclassical effective Hamiltonian for coupled electronic and nuclear optical response", CMT22 Workshop Proc., Vol. 14, Condensed Matter Theories, Vanderbilt University, D. Ernst, Editor (2001).

PDF file [152K]

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J. Ern, A. T. Bens, H.-D. Martin, S. Mukamel, S. Tretiak, K. Tsyganenko, K. Kuldova, H. P. Trommsdorff, C. Kryschi, "Reaction dynamics of a photochromic fluorescing dithienylethene," J. Phys. Chem. A, 105, 1741 (2001).

PDF file [120K]

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S. Tretiak, R. L. Martin, A. Saxena, and A. R. Bishop, "CEO/semiempirical calculations of static nonlinear polarizabilities in conjugated molecules," J. Chem. Phys., 115, 699 (2001).

PDF file [270K]

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S. Tretiak, "Random phase approximation/semiempirical computations of electronic structure of extended organic molecules" Chapter in Recent Research Developments in Physical Chemistry, 5th issue, p. 721 Kerala, India, (2001). [REVIEW]

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2000

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M. Schulz, S. Tretiak, V. Chernyak, and S. Mukamel, "Size scaling of third-order off-resonant polarizabilities; Electronic coherence in organic oligomers", J. Am. Chem. Soc., 112, 452 (2000).

PDF file [468K]

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S. Wang, G. C. Bazan, S. Tretiak, and S. Mukamel, "Oligophenylenevinylene Phane dimers: Probing the effect of contact site on the optical properties of bichromophoric pairs", J. Am. Chem. Soc., 122, 1289 (2000).

PDF file [1.35Mb]

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A. Piryatinski, S. Tretiak, V. Chernyak, and S. Mukamel, "Simulations of two- dimensional femtosecond infrared photon-echoes of glycine dipeptide", J. Raman Spect., 31, 125 (2000).

PDF file [3.4Mb]

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V. Chernyak, S. Tretiak, and S. Mukamel, "Electronic versus vibrational optical nonlinearities of push-pull polymers", Chem. Phys. Lett., 319, 261 (2000).

PDF file [79K]

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J. Ern, A. T. Bens, H.-D. Martin, S. Mukamel, D. Schmid, S. Tretiak, E. V. Tsiper, and C. Kryschi, "Femtosecond reaction dynamics of a photochromic dithienylethene derivative", J. Lum., 87-9, 742 (2000).

PDF file [134K]

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T. Minami, S. Tretiak, V. Chernyak, and S. Mukamel, "Frenkel-exciton Hamiltonian for dendrimeric nanostar", J. Lum., 87-9, 115 (2000).

PDF file [146K]

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S. Tretiak, C. Middleton, V. Chernyak, and S. Mukamel, "Exciton Hamiltonian for the Bacteriochlorophyll System in the LH2 Antenna Complex of Purple Bacteria", J. Phys. Chem. B, 104, 4519 (2000).

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S. Tretiak, "Effective Computing at CNLS", Published on Web: http://cnls.lanl.gov/Internal/Computing/Software/cnls_computation_ug.pdf, (2000).

PDF file [94K]

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V. Chernyak, S. Tretiak, M. Schulz, E. V. Tsiper, and S. Mukamel, "Krylov-space algorithms for time-dependent Hartree-Fock and density functional computations", J. Chem. Phys., 113, 36 (2000).

PDF file [100K]

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S. Tretiak, C. Middleton, V. Chernyak, and S. Mukamel, “Localized and Delocalized Electronic Excitations in Biological and Artificial Antenna Complexes", Photoinduced Charge Transfer, L. Rothberg, Editor (World Scientific, 2000).

PDF file [630K]

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S. Tretiak, A. Saxena, R. L. Martin, and A. R. Bishop, "Interchain Electronic Excitations in Poly(phenylenevinylene) (PPV) Aggregates", J. Phys. Chem. B, 104, 7029 (2000).

PDF file [560K]

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S. Tretiak, C. Middleton, V. Chernyak, and S. Mukamel, "Bacteriochlorophyll and Carotenoid Excitonic Couplings in the LH2 System of Purple Bacteria", J. Phys. Chem. B, 104, 9540 (2000).

PDF file [722K]

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S. Tretiak, A. Saxena, R. L. Martin, and A. R. Bishop, "CEO/semiempirical calculations of uv-visible spectra in conjugated molecules", Chem. Phys. Lett, 331, 561 (2000).

PDF file [420K]

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1999

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S. Tretiak "Collective Electronic Excitations in Spectroscopy of Conjugated and Aggregated Molecules", Ph.D. Thesis, University of Rochester (1999).

PostScript ZIP file [3Mb]          PDF file [6Mb]

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E. V. Tsiper, V. Chernyak, S. Tretiak, and S. Mukamel, "Ground-state density-matrix algorithm for excited-state adiabatic surfaces: application to polyenes", Chem. Phys. Lett., 302, 77 (1999).

PDF file [80K]

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E. Y. Poliakov, V. Chernyak, S. Tretiak, and S. Mukamel, "Exciton-scaling and optical excitations of self-similar Phenylacetylene Dendrimers", J. Chem. Phys., 110, 8161 (1999).

PDF file [350K]

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E. V. Tsiper, V. Chernyak, S. Tretiak, and S. Mukamel, "Density-matrix-spectroscopic-algorithm for excited state adiabatic surfaces and molecular dynamics of a protonated Schiff base", J. Chem. Phys., 110, 8328 (1999).

PDF file [300K]

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S. Tretiak, V. Chernyak, and S. Mukamel, "Electronic screening in second order optical polarizabilities of elongated donor/acceptor polyenes", Chem. Phys., 245, 145 (1999).

PDF file [6.3Mb]

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J. Ern, A. T. Bens, H.-D. Martin, S. Mukamel, D. Schmid, S. Tretiak, E. Tsiper and C. Kryschi, "Reaction dynamics of photochromic dithienylethene derivates", Chem. Phys., 246, 115 (1999).

PDF file [480K]

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V. Chernyak, E. Y. Poliakov, S. Tretiak, and S. Mukamel, "Localized optical excitations and two-exciton spectroscopy of phenylacetylene Dendrimers", in Dynamics in Small Confining Systems IV, Mat. Res. Soc. Proc., J. M. Drake, G. S. Grest, J. Klafter, and R. Kopleman Eds., vol. 543, 327 (1999).

PDF file [426K]

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V. Chernyak, E. Y. Poliakov, S. Tretiak, and S. Mukamel, "Two-exciton states and spectroscopy of phenylacetylene dendrimers", J. Chem. Phys., 111, 4158 (1999).

PDF file [520K]

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S. Tretiak, W. M. Zhang, V. Chernyak, and S. Mukamel, "Excitonic couplings and electronic coherence in bridged naphthalene dimers", Proc. Nat. Acad. Sci. USA, 96, 13003 (1999).

PDF file [545K]

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1998

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S. Tretiak, V. Chernyak, and S. Mukamel, "Origin, Scaling, and Saturation of Second Order Polarizabilities in Donor/Acceptor Polyenes", Chem. Phys. Lett., 287, 75 (1998).

PDF file [500K]

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S. Tretiak, V. Chernyak, and S. Mukamel, "Localized Electronic Excitations in Phenylacetylene Dendrimers", J. Phys. Chem. B, (journal cover page) 102, 3310 (1998). [FEATURE ARTICLE]

PDF file [430K]

Related journal cover page: PDF file [210K]

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G. C. Bazan, W. J. Oldham, Jr., R. J. Lachicotte, S. Tretiak, V. Chernyak, and S. Mukamel, "Stilbenoid Dimers: Dissection of a Paracyclophane Chromophore", J. Am. Chem. Soc., 120, 9188 (1998).

PDF file [830K]

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S. Tretiak, V. Chernyak, and S. Mukamel, "Excited electronic states of carotenoids: Time-dependent density-matrix-response algorithm", Int. J. Quant. Chem., 70, 711 (1998).

PDF file [630K]

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S. Tretiak, V. Chernyak, and S. Mukamel, "Real-space analysis of electronic excitations in free-base (H2P) and magnesium (MgP) porphins", Chem. Phys. Lett., 297, 357 (1998).

PDF file [350K]

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1997

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T. Meier, S. Tretiak, V. Chernyak, and S. Mukamel, "Electronic-Oscillator Analysis of Femtosecond Four-Wave Mixing in Conjugated Polyenes", Phys. Rev. B, 55, 4960 (1997).

PDF file [365K]

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S. Mukamel, S. Tretiak, Th. Wagersreiter, and V. Chernyak, "Electronic-Coherence and Collective Optical Excitations of Conjugated Molecules", Science, 277, 781 (1997).

PDF file [690K]

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S. Tretiak, V. Chernyak, and S. Mukamel, "Two-Dimensional Real-Space Analysis of Optical Excitations in Acceptor-Substituted Carotenoids", J. Am. Chem. Soc., 119, 11408 (1997).

PDF file [660K]

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1996

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S. Tretiak, V. Chernyak, and S. Mukamel, "Collective Electronic Oscillators for Nonlinear Optical Response of Conjugated Molecules", Chem. Phys. Lett., 259, 55 (1996).

PDF file [315K] 

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S. Tretiak, V. Chernyak, and S. Mukamel, "Recursive Density-Matrix-Spectral-Moment Algorithm for Molecular Nonlinear Polarizabilities", J. Chem. Phys., 105, 8914 (1996).

PDF file [325K]

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S. Tretiak, V. Chernyak, and S. Mukamel, "Chemical Bonding and Size-Scaling of Nonlinear Polarizabilities of Conjugated Polymers", Phys. Rev. Lett., 77, 4656 (1996).

PDF file [144K]

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