2 citations · 3 across the 3 of their papers we have counts for
3 papers
Many-body post-processing of density functional calculations using the variational quantum eigensolver for Bader charge analysis
Erik Schultheis, Alexander Rehn, Gabriel Breuil
Quantum chemistry and condensed matter physics are among the most promising applications of quantum computers. Further, estimating properties of a material is crucial to evaluate i…
Improved Strategies for Fermionic Quantum Simulation with Global Interactions
Thierry N. Kaldenbach, Erik Schultheis, Niklas Stewen +1
We present efficient quantum circuits for fermionic excitation operators tailored for ion trap quantum computers exhibiting the Mølmer-Sørensen (MS) gate. Such operators commonly a…
Diagnosis of two evaluation paths to density-based descriptors of molecular electronic transitions
Gabriel Breuil, Kaltrina Shehu, Elise Lognon +3
In this paper we discuss the reliability of two computational methods (numerical integration on Cartesian grids, and population analysis) used for evaluating scalar quantities rela…