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20202026
most citedNumerical stability and efficiency of response property calculations in density functional theory

6 citations · 17 across the 10 of their papers we have counts for

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2 papers · 1 filter

math.NA2024

Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals

Andrea Bordignon, Geneviève Dusson, Éric Cancès +3

In this article, we derive fully guaranteed error bounds for the energy of convex nonlinear mean-field models. These results apply in particular to Kohn-Sham equations with convex…

math.NA2024★ 1 cited

Numerical simulation of the Gross-Pitaevskii equation via vortex tracking

Thiago Carvalho Corso, Gaspard Kemlin, Christof Melcher +1

This paper deals with the numerical simulation of the Gross-Pitaevskii (GP) equation, for which a well-known feature is the appearance of quantized vortices with core size of the o…