2 citations · 5 across the 5 of their papers we have counts for
6 papers
Exact matrix product state representation and convergence of a fully correlated electronic wavefunction in the infinite basis limit
Gero Friesecke, Benedikt R. Graswald, Örs Legeza
In this article we present the exact representation of a fully correlated electronic wavefunction as the single-particle basis approaches completeness. It consists of a half-infini…
Two-electron wavefunctions are matrix product states with bond dimension Three
Gero Friesecke, Benedikt R. Graswald
We prove the statement in the title, for a suitable (wavefunction-dependent) choice of the underlying orbitals, and show that Three is optimal. Thus for two-electron systems, the Q…
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…
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…
Necessary Criteria for Markovian Divisibility of Linear Maps
Matthias C. Caro, Benedikt Graswald
Characterizing those quantum channels that correspond to Markovian time evolutions is an open problem in quantum information theory, even different notions of quantum Markovianity…
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…