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19922026
most citedFast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

2.4k citations

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Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2008 · cond-mat.str-elShow all

2 papers · 2 filters

cond-mat.str-el2008★ 101 cited

Density-Matrix-Power Functional: Performance for Finite Systems and the Homogeneous Electron Gas

N. N. Lathiotakis, S. Sharma, J. K. Dewhurst +3

An exchange correlation energy functional involving fractional power of the one-body reduced density matrix [Phys. Rev. B {\bf 78}, 201103 (2008)] is applied to finite systems and…

cond-mat.str-el2008★ 34 cited

A functional of the one-body-reduced density matrix derived from the homogeneous electron gas: Performance for finite systems

N. N. Lathiotakis, N. Helbig, A. Zacarias +1

An approximation for the exchange-correlation energy of reduced-density-matrix-functional theory was recently derived from a study of the homogeneous electron gas (N.N. Lathiotakis…