90 citations · 558 across the 33 of their papers we have counts for
4 papers · 1 filter
Revisiting density-functional theory of the total current density
Andre Laestadius, Markus Penz, Erik I. Tellgren
Density-functional theory requires an extra variable besides the electron density in order to properly incorporate magnetic-field effects. In a time-dependent setting, the gauge-in…
Lower semi-continuity of universal functional in paramagnetic current-density functional theory
Simen Kvaal, Andre Laestadius, Erik I. Tellgren +1
A cornerstone of current-density functional theory (CDFT) in its paramagnetic formulation is proven. After a brief outline of the mathematical structure of CDFT, the lower semi-con…
Benchmarking density functional approximations for diamagnetic and paramagnetic molecules in nonuniform magnetic fields
Sangita Sen, Erik I. Tellgren
In this paper, correlated studies on a test set of 36 small molecules are carried out with both wavefunction (HF, MP2, CCSD) and density functional (LDA, KT3, cTPSS, cM06-L) method…
Bonding in the helium dimer in strong magnetic fields: the role of spin and angular momentum
Jon Austad, Alex Borgoo, Erik I. Tellgren +1
We investigate the helium dimer in strong magnetic fields, focusing on the spectrum of low-lying electronic states and their dissociation curves, at the full configuration-interact…