most citedImproving approximate-optimized effective potentials by imposing exact conditions: Theory and applications to electronic statics and dynamics

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cond-mat.str-el2009★ 1 cited

Improving approximate-optimized effective potentials by imposing exact conditions: Theory and applications to electronic statics and dynamics

Yair Kurzweil Martin Head-Gordon

We develop a method that can constrain any local exchange-correlation potential to preserve ba-sic exact conditions. Using the method of Lagrange multipliers, we calculate for each…