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  1. No Access

    Article

    A universal bridge functional for infinitely diluted solutions

    We analyze the results obtained in a work by V.P. Sergievskii and A.I. Frolov. It is shown that their main results are not valid: the authors modeled a bridge function instead of a bridge functional. Their met...

    G. N. Chuev, I. I. Vyalov in Russian Journal of Physical Chemistry A (2013)

  2. No Access

    Chapter and Conference Paper

    DFT-IET Method for Quantum-Classical Systems: Treatment of Solvated Quasiparticles

    The density functional theory of excess quantum particles in a classical polar liquid is presented. Starting from the grand partition function, we have developed a microscopic model and derived the free-energy...

    G.N. Chuev, M.V. Fedorov, N. Russo in Metal-Ligand Interactions (2003)