Liviu F. Chibotaru

<scp>Molcas</scp> 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

Francesco Aquilante, Jochen Autschbach, Rebecca K. Carlson et al. · Journal of Computational Chemistry · 2015 · 1.5K citations · Full text

Natural Sciences, Chemistry, Physics +17

OpenMolcas: From Source Code to Insight

Ignacio Fdez. Galván, Morgane Vacher, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2019 · 1.1K citations · Full text

Natural Sciences, Chemistry, Physics +17

<i>Ab initio</i> calculation of anisotropic magnetic properties of complexes. I. Unique definition of pseudospin Hamiltonians and their derivation

Liviu F. Chibotaru, Liviu Ungur · The Journal of Chemical Physics · 2012 · 782 citations

Natural Sciences, Chemistry, Physics +17

The Origin of Nonmagnetic Kramers Doublets in the Ground State of Dysprosium Triangles: Evidence for a Toroidal Magnetic Moment

Liviu F. Chibotaru, Liviu Ungur, Alessandro Soncini · Angewandte Chemie International Edition · 2008 · 741 citations · Full text

Natural Sciences, Materials Science, Physics +6

Strong Axiality and Ising Exchange Interaction Suppress Zero-Field Tunneling of Magnetization of an Asymmetric Dy₂ Single-Molecule Magnet

Yun‐Nan Guo, Gong‐Feng Xu, Wolfgang Wernsdorfer et al. · Journal of the American Chemical Society · 2011 · 729 citations

Natural Sciences, Physics, Condensed Matter Physics +16