Journal of chemical physics. 2021. Vol. 155, № 13. P. 134303-1-134303-9 Journal of Chemical Physics Journal of Chemical Physics, American Institute of Physics, 2021, 155 (13), pp.134303. ⟨10.1063/5.0066161⟩ Journal of Chemical Physics, 2021, 155 (13), pp.134303. ⟨10.1063/5.0066161⟩