160 citations · 621 across the 37 of their papers we have counts for
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Impurity-induced resonant states in topological nodal-line semimetals
Tao Zhou, Wei Chen, Yi Gao +1
Nodal-line semimetals are characterized by a kind of topologically nontrivial bulk-band crossing, giving rise to almost flat surface states. Yet, a direct evidence of the surface s…
Molecular Heat Engines: Quantum Coherence Effects
Feng Chen, Yi Gao, Michael Galperin
Recent developments in nanoscale experimental techniques made it possible to utilize single molecule junctions as devices for electronics and energy transfer with quantum coherence…
Simulation of optical response functions in molecular junctions
Yi Gao, Michael Galperin
We discuss theoretical approaches to nonlinear optical spectroscopy of molecular junctions. Optical response functions are derived in the form convenient for implementation of Gree…
On the widths of Stokes lines in Raman scattering from molecules adsorbed at metal surfaces and in molecular conduction junctions
Yi Gao, Michael Galperin, Abraham Nitzan
Within a generic model we analyze the Stokes linewidth in surface enhanced Raman scattering (SERS) from molecules embedded as bridges in molecular junctions. We identify four main…
Optical spectroscopy of molecular junctions: Nonequilibrium Green's functions perspective
Yi Gao, Michael Galperin
We consider optical spectroscopy of molecular junctions from the quantum transport perspective when radiation field is quantized and optical response of the system is simulated as…
Breaking the theoretical scaling limit for predicting quasi-particle energies: The stochastic GW approach
Daniel Neuhauser, Yi Gao, Christopher Arntsen +3
We develop a formalism to calculate the quasi-particle energy within the GW many-body perturbation correction to the density functional theory (DFT). The occupied and virtual orbit…