The anisotropic rototranslational scattering of carbon dioxide gas is studied theoretically at 294.5 K, in the frequency range 10-470 cm^{-1}, at a density of 1.026254 mole/litre. The anisotropic double differential cross-section for scattered light is calculated theoretically using new site-site Morse-Morse-Morse-spline-van der Waals intermolecular potentials with the parameters fitted to the different thermophysical and transport properties. Our theoretical calculations take into account multipole contributions from the first- and second-order dipole-induced dipole, first-order dipole-induced octopole and first-order dipole-dipole-quadrupole light scattering mechanisms as well as their cross contributions. The irreducible spherical form for the induced operator of these light scattering mechanisms was determined. The high frequency wings are discussed in terms of the collision-induced rotational Rayleigh effect and estimates for the dipole-octopole polarizability E_4, is obtained and checked with the ab initio theoretical value. Good agreement is obtained at moderate frequencies between the theoretical and experimental spectra. When an exponential contribution exp(-ν/ν_{0}), with ν_0 = 115 cm^{-1} is considered to model very short-range light scattering mechanism, good agreement is found over the whole frequency range.
In this study, new potential parameters for Mg₃Bi₂ are proposed which is the Born-Mayer-Huggins type potential. Static, dynamic and transport properties are studied for this material from 300 K up to 1600 K with classical molecular dynamics simulation. Mechanical properties; like elastic constants (C_{11}, C_{12}, C_{13}, C_{33}, C_{44}), bulk modulus and shear modulus are found. All these data are compared with the limited number of experimental and first-principle studies. Our results give a good description of the Mg₃Bi₂ system: lattice constants, α → β transition temperature, melting temperature, diffusion coefficient, density and mechanical properties are promising.
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