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20182025
most citedPerformance of the Constrained Minimization of the Total Energy in Density Functional Approximations: the Electron Repulsion Density and Potential

10 citations · 33 across the 6 of their papers we have counts for

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physics.chem-ph2020★ 7 cited

Improving the exchange and correlation potential in density functional approximations through constraints

Timothy J. Callow, Benjamin J. Pearce, Tom Pitts +3

We review and expand on our work to impose constraints on the effective Kohn Sham (KS) potential of local and semi-local density functional approximations. In this work, we relax a…