26 citations · 45 across the 6 of their papers we have counts for
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physics.chem-ph2009★ 8 cited
Modeling molecular crystals formed by spin-active metal complexes by atom-atom potentials
Anton V. Sinitskiy, Andrei L. Tchougréeff, Andrei M. Tokmachev +1
We apply the atom-atom potentials to molecular crystals of iron (II) complexes with bulky organic ligands. The crystals under study are formed by low-spin or high-spin molecules of…
physics.chem-ph2009★ 6 cited
Classes of admissible exchange-correlation density functionals for pure spin and angular momentum states
A. L. Tchougréeff, J. G. Ángyán
We analyze the various approaches to construct exchange-correlation functionals which are able to describe states of definite spin multiplicity in the DFT realm and outline the cha…