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20142024
most citedStretched or noded orbital densities and self-interaction correction in density functional theory

69 citations · 157 across the 11 of their papers we have counts for

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Showing 2016 · physics.comp-phShow all

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physics.comp-ph2016

Mechanical, elastic and thermodynamic properties of crystalline lithium silicides

Sebastian Schwalbe, Thomas Gruber, Kai Trepte +3

We investigate crystalline thermodynamic stable lithium silicides phases (LixSiy) with density functional theory (DFT) and a force-field method based on modified embedded atoms (ME…