108 citations · 141 across the 4 of their papers we have counts for
4 papers
Range-Separated Hybrid Functional Pseudopotentials
Yang Yang, Georgia Prokopiou, Tian Qiu +4
Consistency between the exchange-correlation (xc) functional used during pseudopotential construction and planewave-based electronic structure calculations is important for an accu…
Accurate atomic quantum defects from particle-particle random phase approximation
Yang Yang, Kieron Burke, Weitao Yang
The accuracy of calculations of atomic Rydberg excitations cannot be judged by the usual measures, such as mean unsigned errors of many transitions. We show how to use quantum defe…
Exchange-Correlation Energy from Pairing Matrix Fluctuation and the Particle-Particle Random Phase Approximation
Helen van Aggelen, Yang Yang, Weitao Yang
We formulate an adiabatic connection for the exchange-correlation energy in terms of pairing matrix fluctuation. This connection opens new channels for density functional approxima…
The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r^4) scaling
Neil Shenvi, Helen Van Aggelen, Yang Yang +3
Tensor hypercontraction is a method that allows the representation of a high-rank tensor as a product of lower-rank tensors. In this paper, we show how tensor hypercontraction can…