Finite-size estimates of Kirkwood-Buff and similar integrals

Recently, Kruger and Vlugt [Phys. Rev. E 97, 051301(R) (2018)] have proposed a method to approximate an improper integral integral(infinity)(0) dr F(r), where F(r) is a given oscillatory function, by a finite-range integral integral(L)(0) dr F(r)W(r/L) with an appropriate weight function W(x). The method is extended here to an arbitrary (embedding) dimensionality d. A study of three-dimensional Kirkwood-Buff integrals, where F(r) = 4 pi r(2) h(r), and static structure factors, where F(r) = (4 pi/q )r sin(qr)h(r), h(r) being the pair correlation function, shows that, in general, a choice d not equal 3 (e.g., d = 7) for the embedding dimensionality may significantly reduce the error of the approximation integral(infinity)(0) dr F(r) similar or equal to integral(L)(0) dr F(r)W(r/L).