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20172020
most citedDensity Functional Theory is Not Straying from the Path toward the Exact Functional

85 citations · 119 across the 5 of their papers we have counts for

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Showing 2020Show all

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q-bio.PE2020

Survival of the cheapest: How proteome cost minimization drives evolution

Kasper P. Kepp

Darwin's theory of evolution emphasized that positive selection of functional proficiency provides the fitness that ultimately determines the structure of life, a view that has dom…

physics.chem-ph2020★ 9 cited

Using Electronegativity and Hardness to Test Density Functional Universality

Klaus A. Moltved, Kasper P. Kepp

Density functional theory (DFT) is used in thousands of papers each year, yet lack of universality reduces DFT's predictive capacity, and functionals may produce energy-density imb…