96 citations · 490 across the 21 of their papers we have counts for
Showing 2019Show all
3 papers · 1 filter
cond-mat.mtrl-sci2019★ 88 cited
Direct comparison of many-body methods for realistic electronic Hamiltonians
Kiel T. Williams, Yuan Yao, Jia Li +22
A large collaboration carefully benchmarks 20 first principles many-body electronic structure methods on a test set of 7 transition metal atoms, and their ions and monoxides. Good…
cond-mat.mes-hall2019
Tunable cloaking of Mexican-hat confined states in bilayer silicene
Le Bin Ho, Lan Nguyen Tran
We present the ballistic quantum transport of a p-n-p bilayer silicene junction in the presence of spin-orbit coupling and electric field using a four-band model in combination wit…
cond-mat.str-el2019
Tracking excited states in wave function optimization using density matrices and variational principles
Lan Nguyen Tran, Jacqueline A. R. Shea, Eric Neuscamman
We present a method for finding individual excited states' energy stationary points in complete active space self-consistent field theory that is compatible with standard optimizat…