3 papers
quant-ph2021
Electronic wavefunction with maximally entangled MPS representation
Benedikt R. Graswald, Gero Friesecke
We present an example of an electronic wavefunction with maximally entangled MPS representation, in the sense that the bond dimension is maximal and cannot be lowered by any re-ord…
math-ph2020
Dissociation limit in Kohn-Sham density functional theory
Sören Behr, Benedikt R. Graswald
We consider the dissociation limit for molecules of the type in the Kohn-Sham density functional theory setting, where can be any element with electrons. We prove tha…
physics.chem-ph2019
Existence and nonexistence of HOMO-LUMO excitations in Kohn-Sham density functional theory
Gero Friesecke, Benedikt Graswald
In numerical computations of response properties of electronic systems, the standard model is Kohn-Sham density functional theory (KS-DFT). Here we investigate the mathematical sta…