52 citations · 66 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2020★ 14 cited
PyCDFT: A Python package for constrained density functional theory
He Ma, Wennie Wang, Siyoung Kim +3
We present PyCDFT, a Python package to compute diabatic states using constrained density functional theory (CDFT). PyCDFT provides an object-oriented, customizable implementation o…
cond-mat.mtrl-sci2019★ 52 cited
A finite field approach to solving the Bethe Salpeter equation
Ngoc Linh Nguyen, He Ma, Marco Govoni +2
We present a method to compute optical spectra and exciton binding energies of molecules and solids based on the solution of the Bethe-Salpeter equation (BSE) and the calculation o…