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physics.comp-ph2016★ 16 cited
Isogeometric analysis in electronic structure calculations
Robert Cimrman, Matyáš Novák, Radek Kolman +2
In electronic structure calculations, various material properties can be obtained by means of computing the total energy of a system as well as derivatives of the total energy w.r.…
physics.comp-ph2015★ 10 cited
Finite element method and isogeometric analysis in electronic structure calculations: convergence study
Robert Cimrman, Matyáš Novák, Radek Kolman +2
We compare convergence of isogeometric analysis (IGA), a spline modification of finite element method (FEM), with FEM in the context of our real space code for ab-initio electronic…