90 citations · 558 across the 33 of their papers we have counts for
33 papers
Regularised density-potential inversion for periodic systems: application to exact exchange in one dimension
Oliver M. Bohle, Maryam Lotfigolian, Andre Laestadius +1
A detailed convex analysis-based formulation of density-functional theory for periodic systems in arbitrary dimensions is presented. The electron-electron interaction is taken to b…
Non-adiabatic coupling matrix elements in a magnetic field: geometric gauge dependence and Berry phase
Tanner Culpitt, Erik I. Tellgren, Laurens D. M. Peters +1
Non-adiabatic coupling matrix elements (NACMEs) are important in quantum chemistry, particularly for molecular dynamics methods such as surface hopping. However, NACMEs are gauge d…
Thermodynamic limit for the magnetic uniform electron gas and representability of density-current pairs
Mihály A. Csirik, Andre Laestadius, Erik I. Tellgren
Although the concept of the uniform electron gas is essential to quantum physics, it has only been defined recently in a rigorous manner by Lewin, Lieb and Seiringer. We extend the…
Unitary Coupled-Cluster for Quantum Computation of Molecular Properties in a Strong Magnetic Field
Tanner Culpitt, Erik I. Tellgren, Fabijan Pavosevic
In truncated coupled-cluster (CC) theories, non-variational and/or generally complex ground-state energies can occur. This is due to the non-Hermitian nature of the similarity tran…
Propagators for molecular dynamics in a magnetic field
Laurens D. M. Peters, Erik I. Tellgren, Trygve Helgaker
Ab initio molecular dynamics in a magnetic field requires solving equations of motion with velocity-dependent forces -- namely, the Lorentz force arising from the nuclear charges m…
The structure of the density-potential mapping. Part II: Including magnetic fields
Markus Penz, Erik I. Tellgren, Mihály A. Csirik +2
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by…