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20042023
most citedImprovements to the APBS biomolecular solvation software suite

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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…