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20162026
most citedInterpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT

42 citations · 88 across the 11 of their papers we have counts for

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physics.chem-ph2020★ 15 cited

Robust All-Electron Optimization in Orbital-Free Density Functional Theory Using the Trust Region Image Method

Matthew S. Ryley, Michael Withnall, Tom J. P. Irons +2

We present a Gaussian-basis implementation of orbital-free density-functional theory (OF-DFT) in which the trust-region image method (TRIM) is used for optimization. This second-or…