502 citations · 1.9k across the 35 of their papers we have counts for
Showing 2010 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2010★ 30 cited
Electronic structure interpolation via atomic orbitals
Mohan Chen, G-C Guo, Lixin He
We present an efficient scheme for accurate electronic structure interpolations based on the systematically improvable optimized atomic orbitals. The atomic orbitals are generated…
cond-mat.mtrl-sci2010★ 137 cited
Systematically improvable optimized atomic basis sets for {\it ab inito} calculations
Mohan Chen, G-C Guo, Lixin He
We propose a unique scheme to construct fully optimized atomic basis sets for density-functional calculations. The shapes of the radial functions are optimized by minimizing the {\…