Path-integral Mayer-sampling calculations of the quantum Boltzmann contribution to virial coefficients of helium-4.

Mayer-sampling Monte Carlo calculations of methanol virial coefficients

We present virial coefficients of up to fourth order computed by Mayer-sampling Monte Carlo for three pair potentials of methanol: one parameterized to reproduce vapourliquid coexistence and two others parameterized to reproduce a quantum pair potential. We compare the resulting second and third virial coefficients to experimental values available in the literature. We further examine the viria...

Path-integral calculation of the third virial coefficient of quantum gases at low temperatures.

We derive path-integral expressions for the second and third virial coefficients of monatomic quantum gases. Unlike previous work that considered only Boltzmann statistics, we include exchange effects (Bose-Einstein or Fermi-Dirac statistics). We use state-of-the-art pair and three-body potentials to calculate the third virial coefficient of (3)He and (4)He in the temperature range 2.6-24.5561 ...

Direct orientation sampling of diatomic molecules for path integral Monte Carlo calculation of fully quantum virial coefficients

Semiclassical fifth virial coefficients for improved ab initio helium -‐ 4 standards

For helium-4, we present ab initio, semiclassical calculations of virial coefficients B n for n = 2, 3, 4, and 5 from 50 K to 1000 K. Using our values of B 4 and B 5 and the more accurate literature values of B 2 and B 3 , we argue that the ab initio virial equation of state is more accurate than recent, high-quality, densimeter measurements spanning the range {223 K < T < 500 K, p < 38 MPa}. T...

A. Collision-Induced Light Scattering in Helium Gas B. Second Dielectric Virial Coefficient of Helium Gas C. Rovibrational Spectra of Weakly Bound Complexes: He-CO and He-HF D. Excess Second Virial Coefficients for He-CO

The present status of symmetry-adapted perturbation theory applied to intermolecular potentials and interaction-induced properties is presented, and illustrated by means of applications to the calculations of the collisioninduced Raman spectra, rovibrational spectra of weakly bound dimers, and second (pressure and dielectric) virial coefficients.