Spatial dependence of hyperpoarizabilty of van der Waals supermolecule H₂-Ne. Its influence on spectral properties of hyper-Rayleigh collisionally scattered light

Article type: Research Article

Authors: Głaz, Waldemar

Affiliations: Nonlinear Optics Division, Faculty of Physics, Adam Mickiewicz University, Poznań, Poland. E-mail: [email protected]

Abstract: A series of reports has been published previously for several last years on the nonlinear hyper-Rayleigh (HR) collisional light scattering in molecular media composed of interacting atomic and atomic-diatomic compounds. The presented study continues and extends these theoretical and numerical analyses. Especially, a careful insight into the spectral properties of the most recent case considered – the HR scattering in H2-Ne gas mixtures – is given by calculating and examining a complete set of spectral line contributions related to symmetry adapted (SA) components of the collisional first hyperpolarizability tensor ΔβΛ;L(K). The influence of the ΔβΛL(K)(R) functional behavior on the HR spectral line shapes is found and characterized in details. A possibility of estimating numerical values of the SA contributions is discussed. Moreover, the long distance functional dependencies of Δβ(R), obtained by means of the numerical quantum chemistry methods, are confronted with those derived on the basis of an analytical approach within the molecular interaction models proposed at the early stage of development of the collisional nonlinear spectroscopy by Kielich and coworkers.

Keywords: hyperpolarizability, collisional hyper-Rayleigh scattering, van der Waals complexes

DOI: 10.3233/JCM-2011-0392

Journal: Journal of Computational Methods in Sciences and Engineering, vol. 11, no. 5-6, pp. 339-352, 2011