A universal bridge functional for infinitely diluted solutions

作者：Chuev G N^*; Vyalov I I

来源：Russian Journal of Physical Chemistry, 2013, 87(9): 1598-1599.

DOI：10.1134/S0036024413090070

• Ornstein-Zernike equation
• bridge functional
• Molecular dynamics
• Lennard-Jones fluid

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 method of calculation was not valid; some results are not reliable because they do not consider finite-size corrections; and the exponential parameterization of the obtained bridge function is not precise enough to reconstruct its oscillating behavior.

• 出版日期2013-9