Erratum: “Second virial coefficient properties of the n-m Lennard-Jones/Mie potential” [J. Chem. Phys. 149, 074504 (2018)]

Erratum: "Virial coefficients and demixing in the Asakura-Oosawa model" [J. Chem. Phys. 142, 014902 (2015)].

Second Virial Coefficient for a D-dimensional Lennard-jones (2n-n) System

This note examines the second virial coefficient for an imperfect gas subject to a 2n-n interparticle potential in any dimension d between 0 and n. A compact analytic expression is presented for this quantity which shows that, apart from a numerical factor, its temperature dependence is a universal function parameterized by d/n.

Effective Potential for the Second Virial Coefficient at Feshbach Resonance

In a recent paper entitled “High temperature expansion applied to fermions near Feshbach resonance”, (Phys. Rev. Lett. 92 160404 (2004)), Ho and Mueller have demonstrated a remarkable similarity between its high and low temerature properties at resonance. The quantum second virial coefficient plays a crucial role in their analysis, and has a universal value at resonance. In this paper, we explo...

Ab initio interaction potential of methane and carbon dioxide: Calculation of second-virial coefficient

An interaction potential at different orientation for the CH4 and CO2 complex was derived at theB3LYP level of theory and 6-31+G* basis sets. The potential energy surface was computed on somemolecular geometries. The complete basis set limit of the interaction energies were fitted to wellknownanalytical functions. To determine the second virial coefficients B, U(r) is used to obtain themodel’s ...

Ab initio study of the second virial coefficient protein — protein on the basis of intermolecular potential energy surface

Intermolecular potential energy surface (IPS) for protein — protein has been examined using RHF, DFT-B3LYPand MP2 levels of theory with 6-31G, 6-31G* basis sets. A number of basis sets were used in order to evaluatethe basis set effects, at all three levels of theory, basis sets has significant effects on the calculated potentialenergy curves (including position, depth and width of the potentia...