Variational Hirshfeld Partitioning: General Framework and the Additive Variational Hirshfeld Partitioning Method

F. Heidar-Zadeh, C. Castillo-Orellana, M. Van Zyl, L. Pujal, T. Verstraelen, P. Bultinck, E. Vohringer-Martinez, P. W. Ayers

Journal of Chemical Theory and Computation

20(22), pp.9939--9953