Breaking the Theoretical Scaling Limit for Predicting Quasiparticle Energies: The Stochastic Approach D Neuhauser, Y Gao, C Arntsen, C Karshenas, E Rabani, R Baer Physical review letters 113 (7), 076402, 2014 | 154 | 2014 |
Sublinear scaling for time-dependent stochastic density functional theory Y Gao, D Neuhauser, R Baer, E Rabani The Journal of chemical physics 142 (3), 2015 | 59 | 2015 |
Anisotropic low-energy plasmon excitations in doped graphene: An ab initio study Y Gao, Z Yuan Solid state communications 151 (14-15), 1009-1013, 2011 | 51 | 2011 |
A guided stochastic energy-domain formulation of the second order Møller-Plesset perturbation theory Q Ge, Y Gao, R Baer, E Rabani, D Neuhauser The Journal of Physical Chemistry Letters 5, 185, 2013 | 42 | 2013 |
Semiclassical approach to plasmon–electron coupling and Landau damping of surface plasmons Y Gao, Z Yuan, S Gao The Journal of chemical physics 134 (13), 2011 | 40 | 2011 |
Dynamical quantum-electrodynamics embedding: Combining time-dependent density functional theory and the near-field method Y Gao, D Neuhauser The journal of chemical physics 137 (7), 2012 | 32 | 2012 |
Recent progresses in real-time local-basis implementation of time dependent density functional theory for electron–nucleus dynamics W Ma, J Zhang, L Yan, Y Jiao, Y Gao, S Meng Computational Materials Science 112, 478-486, 2016 | 29 | 2016 |
Molecular heat engines: Quantum coherence effects F Chen, Y Gao, M Galperin Entropy 19 (9), 472, 2017 | 23 | 2017 |
Laterally tunable plasmon resonance in confined biatomic-layer Ag nanodisks H Qin, Y Gao, J Teng, H Xu, K Wu, S Gao Nano letters 10 (8), 2961-2964, 2010 | 23 | 2010 |
Optical spectroscopy of molecular junctions: Nonequilibrium Green’s functions perspective Y Gao, M Galperin The Journal of chemical physics 144 (17), 2016 | 20 | 2016 |
Communication: Dynamical embedding: Correct quantum response from coupling TDDFT for a small cluster with classical near-field electrodynamics for an extended region Y Gao, D Neuhauser The Journal of Chemical Physics 138 (18), 2013 | 15 | 2013 |
Simulation of optical response functions in molecular junctions Y Gao, M Galperin The Journal of chemical physics 144 (24), 2016 | 14 | 2016 |
Symmetry-dependent screening of surface plasmons in ultrathin supported films: the case of Al/Si (111) Z Yuan, Y Jiang, Y Gao, M Käll, S Gao Physical Review B—Condensed Matter and Materials Physics 83 (16), 165452, 2011 | 14 | 2011 |
Near-field for electrodynamics at sub-wavelength scales: Generalizing to an arbitrary number of dielectrics S Li, Y Gao, D Neuhauser The Journal of chemical physics 136 (23), 2012 | 9 | 2012 |
Direct delocalization for calculating electron transfer in fullerenes C Arntsen, R Reslan, S Hernandez, Y Gao, D Neuhauser International Journal of Quantum Chemistry 113 (15), 1885-1889, 2013 | 8 | 2013 |
On the widths of Stokes lines in Raman scattering from molecules adsorbed at metal surfaces and in molecular conduction junctions Y Gao, M Galperin, A Nitzan The Journal of chemical physics 144 (24), 2016 | 5 | 2016 |
Nanodentures and mechanical electrodynamics: Three-dimensional relative orientation of plasmonic nanoarches from absorption spectra RC Boutelle, Y Gao, C Arntsen, D Neuhauser The Journal of Physical Chemistry C 117 (18), 9381-9385, 2013 | 2 | 2013 |
Stochastic GW: Formulation and application to nanoclusters C Arntsen, D Neuhauser, Y Gao, E Rabani, R Baer, C Karshenas ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014 | | 2014 |
Transfer of electrons in fullerenes: Bridging transport and transfer D Neuhauser, R Reslan, C Arntsen, Y Gao, S Hernandez ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 243, 2012 | | 2012 |
TD-Split: Non-adiabatic splitting from a time-dependent linear response excitation of a delocalized ground-state D Neuhauser, R Reslan, C Arntsen, S Hernandez, Y Gao, K Lopata, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 243, 2012 | | 2012 |