90 citations · 568 across the 29 of their papers we have counts for
3 papers · 1 filter
Robust All-Electron Optimization in Orbital-Free Density Functional Theory Using the Trust Region Image Method
Matthew S. Ryley, Michael Withnall, Tom J. P. Irons +2
We present a Gaussian-basis implementation of orbital-free density-functional theory (OF-DFT) in which the trust-region image method (TRIM) is used for optimization. This second-or…
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…
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…