The Septor Part of a Linear Molecule—Atom Collision‐Induced Hyperpolarizability

摘要: A method for the computation of spherical, rotationally adapted components collision‐induced (CI) hyperpolarizability tensor, needed spectroscopic line shape analysis, is presented. Components CI dipole3‐hyperpolarizability tensor are expressed in a way with their rotational behavior unequivocally defined. The sets equations determination vector (K = 1) and septor (K = 3) ΔβλL(s,K)(R), given. Spherical, symmetry part first dipole3 computed. Results applied to case H2‐Ar pair. discussed detail. seven Δβ03(s,3)(R), Δβ21(s,3)(R), Δβ23(s,3)(R), Δβ25(s,3)(R), Δβ41(s,3)(R), Δβ43(s,3)(R), Δβ45(s,3)(R), computed discussed. Good agreement observed between long‐rang analytical ab initio numerical data multipolar‐like hyperpolarizabi...