53 citations · 119 across the 3 of their papers we have counts for
3 papers
cond-mat.str-el2014★ 46 cited
Density functional plus dynamical mean field theory of the metal-insulator transition in early transition metal oxides
Hung T. Dang, Xinyuan Ai, Andrew J. Millis +1
The combination of density functional theory and single-site dynamical mean-field theory, using both Hartree and full continuous-time quantum Monte Carlo impurity solvers, is used…
cond-mat.mtrl-sci2014★ 20 cited
A slave mode expansion for obtaining ab-initio interatomic potentials
Xinyuan Ai, Yue Chen, Chris A. Marianetti
Here we propose a new approach for performing a Taylor series expansion of the first-principles computed energy of a crystal as a function of the nuclear displacements. We enlarge…
cond-mat.mtrl-sci2013★ 53 cited
A first-principles approach to nonlinear lattice dynamics: Anomalous spectra in PbTe
Yue Chen, Xinyuan Ai, C. A. Marianetti
Here we introduce a new approach to compute the finite temperature lattice dynamics from first-principles via the newly developed slave mode expansion. We study PbTe where inelasti…