73 citations · 98 across the 5 of their papers we have counts for
5 papers
Chiral vibrational modes and vibrational circular dichroism
Xuecheng Tao, Clàudia Climent, Ethan Abraham +2
The recent interest in chiral phonons in a variety of physical phenomena and their hypothesized role in the chiral-induced spin selectivity effect [Phys. Rev. Research, 5, L022039…
Computational Design of Molecular Probes for Electronic Pre-Resonance Raman Scattering Microscopy
Jiajun Du, Xuecheng Tao, Tomislav Begušić +1
Recently developed electronic pre-resonance stimulated Raman scattering (epr-SRS) microscopy, in which the Raman signal of a dye is significantly boosted by setting the incident la…
Equilibrium-nonequilibrium ring-polymer molecular dynamics for nonlinear spectroscopy
Tomislav Begušić, Xuecheng Tao, Geoffrey A. Blake +1
Two-dimensional Raman and hybrid terahertz/Raman spectroscopic techniques provide invaluable insight into molecular structure and dynamics of condensed-phase systems. However, corr…
Microcanonical rates from ring-polymer molecular dynamics: Direct-shooting, stationary-phase, and maximum-entropy approaches
Xuecheng Tao, Philip Shushkov, Thomas F. Miller
We address the calculation of microcanonical reaction rates for processes involving significant nuclear quantum effects using ring-polymer molecular dynamics (RPMD), both with and…
Path-Integral Isomorphic Hamiltonian for Including Nuclear Quantum Effects in Non-adiabatic Dynamics
Xuecheng Tao, Philip Shushkov, Thomas Miller
We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic en…