55 citations · 78 across the 6 of their papers we have counts for
6 papers
Dissociation limit of the H2 molecule in the particle-hole random phase approximation
Mi-Song Dupuy, Kyle Thicke
In this work, we consider the particle-hole random phase approximation (phRPA), an approximation to the correlation energy in electronic structure, and show that the phRPA energy o…
Computing spectral properties of topological insulators without artificial truncation or supercell approximation
Matthew J. Colbrook, Andrew Horning, Kyle Thicke +1
Topological insulators (TIs) are renowned for their remarkable electronic properties: quantised bulk Hall and edge conductivities, and robust edge wave-packet propagation, even in…
Computing edge states without hard truncation
Kyle Thicke, Alexander B. Watson, Jianfeng Lu
We present a numerical method which accurately computes the discrete spectrum and associated bound states of Hamiltonians which model electronic "edge" states localized at boundari…
Accelerating Optical Absorption Spectra and Exciton Energy Computation for Nanosystems via Interpolative Separable Density Fitting
Wei Hu, Meiyue Shao, Andrea Cepellotti +5
We present an efficient way to solve the Bethe-Salpeter equation (BSE), a model for the computation of absorption spectra in molecules and solids that includes electron-hole excita…
Cubic scaling algorithms for RPA correlation using interpolative separable density fitting
Jianfeng Lu, Kyle Thicke
We present a new cubic scaling algorithm for the calculation of the RPA correlation energy. Our scheme splits up the dependence between the occupied and virtual orbitals in b…
Orbital minimization method with regularization
Jianfeng Lu, Kyle Thicke
We consider a modification of the OMM energy functional which contains an penalty term in order to find a sparse representation of the low-lying eigenspace of self-adjoint…