Abstract
In a previous article the theory of frame transformation relation between Body Oriented Angular (BOA) states and Lab Weakly Coupled states (LWC) was developed to investigate simple rotor–rotor interactions. By analyzing the quantum spectrum for two coupled diatomic molecules and comparing it with spectrum and probability distribution of simple models, evidence was found that, as we move from a LWC state to a strongly coupled state, a single rotor emerges in the strong limit. In the low coupling, the spectrum was quadratic which indicates the degree of floppiness in the rotor–rotor system. However in the high coupling behavior it was found that the spectrum was linear which corresponds to a rotor deep in a well.
Highlights
To advance scientific theory it helps to revisit the building blocks
Chrysos et al [16] recently reported that they were able to give an interpretation of collision-induced absorption (CIA) and scattering (CIS) by CO2–CO2 without resorting to short-range interactions to offset the discrepancies between theory and experiment
The expression in the Lab Weakly Coupled states (LWC) basis is the product of a Racah coefficient [18,19,20] with the reduced matrix elements of the coupled system, which is simpler than the expression in the Body Oriented Angular (BOA) involving multiple Clebsch–Gordan coefficients Equation (9)
Summary
To advance scientific theory it helps to revisit the building blocks. V.H. Fano [5] extended the theory to large amplitude motion for a diatomic rotor-electron interaction and indicated the importance of the body and laboratory transformation. Ortigoso, and Kleiner [11,12] treated the K-rotational labeling of eigenstates from an internal rotor system so as to identify good and bad quantum numbers as it moves between the principle of axis method (PAM defined in [12,13]) and the rho axis method (RAM defined in [11,13]) This may be related to labeling schemes in [7], wherein the frame transformation affects the validity of quantum numbers. Chrysos et al [16] recently reported that they were able to give an interpretation of collision-induced absorption (CIA) and scattering (CIS) by CO2–CO2 without resorting to short-range interactions to offset the discrepancies between theory and experiment Another system that could be investigated with this technique is that of methyl nitrate (CF3ONO). The energy eigenvalues calculated for the multi-pole interaction potential provides insight into the effects of rotor–rotor interactions where strong coupling forms a third frame in which the total angular momentum is conserved along with body quantum numbers nl, nR and K
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