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Charge transfer in organic molecules for solar cells: theoretical perspective Y. Zhao* and W. Z. Liang*, Chem. Soc. Rev. 41, 1075 (2012)
Plasmon Resonance of Isolated Gold Hollow Nanoparticles and Nanoparticle Pairs: Insights from Electronic Structure Calculations H. Ma, F. Gao and W. Z. Liang*, J. Phys. Chem. C 116, 1755 (2012).
Analytical approach for the excited-state Hessian in time-dependent density functional theory: Formalism, implementation, and performance J. Liu and W. Z. Liang*, J. Chem. Phys. 135, 18411 (2011).
Molecular-orbital-free algorithm for the excited-state force in time-dependent density functional theory J. Liu and W.Z. Liang*, J. Chem. Phys. 134, 044114 (2011)
Analytical Hessian of electronic excited states in time-dependent density functional theory with Tamm-Dancoff approximation J. Liu and W. Z. Liang*, J. Chem. Phys. 135, 014113 (2011).
Vibronic Spectra of Perylene Bisimide Oligomers: Effects of Intermolecular Charge-Transfer Excitation and Conformational Flexibility F. Gao, Y. Zhao and W. Z. Liang*, J. Phys. Chem. B 115, 2699 (2011).
Identification of the mechanism of enhanced exciton interaction in rigidly linked naphthalene dimers J. Song, F. Gao and W. Z. Liang*, Phys. Chem. Chem. Phys. 40, 13070 (2010).
Ab initio study of phonon-induced dephasing of plasmon excitations in silver quantum dots Z. Y. Guo, B. F. Habenicht, W. Z. Liang and O. V. Prezhdo Phys. Rev. B 81 125415 (2010).
Nature of Low-Lying Excited States in H-Aggregated Perylene Bisimide Dyes: Results of TD-LRC-DFT and the Mixed Exciton Model F. Pan, F. Gao, and W. Z. Liang*, J. Phys. Chem. B 113, 14581 (2009).
Vibrationally Resolved Absorption and Emission Spectra of Rubrene Multichromophores: Temperature and Aggregation Effects F. Gao, W. Z. Liang* and Y. Zhao, J. Phys. Chem. B 113, 12847 (2009)
Real-Time Propagation of the Reduced One-Electron Density Matrix in Atom-Centered Orbitals: Application to Electron Injection Dynamics in Dye-Sensitized TiO2 Clusters Z.Y. Guo, W.Z. Liang*, Y. Zhao and G.H. Chen, J. Phys. Chem. C 112, 16655 (2008)
Real-time propagation of the reduced one-electron density matrix in atom-centered Gaussian orbitals: Application to absorption spectra of silicon clusters J. Sun, J. Song, W. Z. Liang*,J. Chem. Phys. 127, 234107(2007).
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