Download e-book for iPad: Density Matrix Analysis and Simulation of Electronic by Tretiak S., Mukamel S.

By Tretiak S., Mukamel S.

ISBN-10: 1281311332

ISBN-13: 9781281311337

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Su, S. ; Windus, T. ; Montgomery, J. A. J. Comput. Chem. 1993, 14, 1347. (145) Zerner, M. C. ZINDO, A Semiempirical Quantum Chemistry Program; Quantum Theory Project, University of Florida, Gainesville, FL, 1996. (146) Ortiz, J. V. J. Chem. Phys. 2000, 112, 56. (147) Zakrzewski, V. ; Ortiz, J. V. Int. J. Quantum Chem. 1999, 75, 607. ; Bartlett, R. J. J. Chem. Phys. 1991, 94, 3665. ; Wang, H. X. Phys. Rev. Lett. 1992, 69, 65. (150) Wang, H. ; Mukamel, S. Chem. Phys. Lett. 1992, 192, 417. ; Wang, H.

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349) The term “Davydov splitting” usually refers to the splitting of degenerate states in molecular aggregates and crystals in which intermolecular interactions are electrostatic, and are described by the Frenkel exciton Hamiltonian. In contrast, the coupling between electronic modes in dimers includes electrostatic as well as exchange interactions, which result in interchromophore electronic coherence. These may not be described by Frenkel exciton Hamiltonian. ; Rawls, H. ; El-Bayoumi, M. A. Pure Appl.

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Density Matrix Analysis and Simulation of Electronic Excitations in Conjugated and Aggregated Molecules by Tretiak S., Mukamel S.


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