24 citations · 36 across the 3 of their papers we have counts for
4 papers
Finite-Temperature Toroidal Moment Amenable to Direct Observation in an FeDy Molecular Ring
Alessandro Soncini, Kieran Hymas, Jonas Braun +8
Single-molecule toroics (SMTs) host closed magnetic-vortex configurations that carry toroidal moments , whose electric-dipole symmetry enables magnetoelectric spin co…
CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes
Simone Calvello, Matteo Piccardo, Shashank V. Rao +1
We have developed and implemented a new ab initio code, CERES (Computational Emulator of Rare Earth Systems), completely written in C++11, which is dedicated to the efficient calcu…
Room temperature chiral discrimination in paramagnetic NMR spectroscopy
Alessandro Soncini, Simone Calvello
A recently proposed theory of chiral discrimination in NMR spectroscopy based on the detection of a molecular electric polarization rotating in a plane perpendicular t…
Configuration-averaged 4f orbitals in ab initio calculations of low-lying crystal field levels in lanthanide(III) complexes
Willem Van den Heuvel, Simone Calvello, Alessandro Soncini
A successful and commonly used ab initio method for the calculation of crystal field levels and magnetic anisotropy of lanthanide complexes consists of spin-adapted state-averaged…