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E Cancès

Publications and source records attributed to E Cancès.

2 recordsLinked to original sources

Nonlinear instability of density-independent orbital-free kinetic-energy functionals.

We study in this article the mathematical properties of a class of orbital-free kinetic-energy functionals. We prove that these models are linearly stable but nonlinearly unstable, in the sense that the corresponding kinetic-energy functionals are not bounded from below. As a matter of illustration, we provide an example of an electronic density of simple shape, the kinetic energy of which is negative.

Journal Article↗

Maximal probability domains in linear molecules.

Regions of space are defined to maximize the probability to find a given number of electrons within. Their chemical significance and their relationship to the electron localization function (ELF) are explored by analyzing the results for a few linear molecules: LiH, BH, N2, CO, CS, C2H2, and C4H2.

Journal Article↗