116 citations · 207 across the 10 of their papers we have counts for
5 papers
Exact Self-Consistent Effective Hamiltonian Theory
Xindong Wang, Xiao Chen, Liqin Ke +2
We propose a general variational fermionic many-body wavefunction that generates an effective Hamiltonian in a quadratic form, which can then be exactly solved. The theory can be c…
Intrinsic magnetic properties of {(FeCo)Ti} ( = Y and Ce; = H, C, and N)
Liqin Ke, Duane D. Johnson
To guide improved properties coincident with reduction of critical materials in permanent magnets, we investigate via density functional theory (DFT) the intrinsic magnetic propert…
Constituents of magnetic anisotropy and a screening of spin-orbit coupling in solids
Vladimir Antropov, Liqin Ke, Daniel Åberg
Using quantum mechanical perturbation theory (PT) we analyze how the energy of perturbation of different orders is renormalized in solids. We test the validity of PT analysis by co…
Spin excitations in KFeSe: linear response approach
Liqin Ke, Mark van Schilfgaarde, Vladimir Antropov
Using \emph{ab initio} linear response techniques we calculate spin wave spectra in KFeSe, and find it to be in excellent agreement with a recent experiment. Th…
Doping-induced metallicity and coexistence of magnetic subsystems in {KFeSe}
Liqin Ke, Mark van Schilfgaarde, Vladimir Antropov
Electronic structure calculations are used to analyze the electronic and magnetic properties in {KFeSe}. Fe atoms can be divided into two distinct groups. The $…