14 citations · 16 across the 2 of their papers we have counts for
2 papers
math-ph2019★ 2 cited
Symmetry Breaking in Density Functional Theory due to Dirac Exchange for a Hydrogen Molecule
Michael Holst, Houdong Hu, Jianfeng Lu +3
We study symmetry breaking in the mean field solutions to the 2 electron hydrogen molecule within Kohn Sham (KS) local spin density function theory with Dirac exchange (the XLDA mo…
mtrl-th1994★ 14 cited
Scalable Parallel Numerical Methods and Software Tools for Material Design
E. Bylaska, S. Khon, S. Baden +4
A new method of solution to the local spin density approximation to the electronic Schrödinger equation is presented. The method is based on an efficient, parallel, adaptive multig…