The crystal-field splitting of rovibrational Wv(), Yv(), and [ΔJ=10]v() transitions of solid parahydrogen

Abstract

The present work is concerned with the theoretical study of the crystal-field splitting of rovibrational W(v)(0), Y(v)(0), and [DeltaJ = 10](v)(0) transitions of solid parahydrogen, by considering three lowest terms in the anisotropic crystal-field interaction potential. The theoretical expressions are derived for the matrix elements of Racah spherical harmonics: C(2,0)(Omega), C(4,0)(Omega), and C(6,0)(Omega). It is observed that the magnitude of the third-order crystal-field parameter epsilon(6c) is comparable with that of the lowest-order parameter epsilon(2c). Further the theoretical values of epsilon(2c) reported previously are too low. Contrary to the earlier results, the calculated value of epsilon(2c) in the present work is seen to be in good agreement with that obtained by fitting experimental data to the Hamiltonian containing three lowest anisotropic interaction terms.