4 papers
Excited States from Quasiparticle Hamiltonian Based on Density Functional Theory
Yang Shen, Yichen Fan, Weitao Yang
Recent advances in occupancy extrapolation (OE) show that potential of orbital-occupation based energy functions can describe electronic excitations. Here, the OE method in the par…
Velocity Gauge for Oscillator Strength in SCF theory
Yang Shen, Yichen Fan, Weitao Yang
Delta self-consistent-field (SCF) theory is widely used for electronic excitation energy calculations. However, calculating the corresponding oscillator strengths is challengin…
On the correlation between entanglement and the negative sign problem
Ping Xu, Yang Shen, Yuan-Yao He +1
In this work, we study the correlation between entanglement and the negative sign problem in quantum Monte Carlo for the simulation of low-dimensional strongly correlated quantum m…
Numerical study of bi-layer two-orbital model for LaNiO on a plaquette ladder
Yang Shen, Jiale Huang, Xiangjian Qian +2
The recently discovered high- superconductivity in LaNiO with provides another intriguing platform to explore the microscopic mechanism of…