are the centrifugal distortion constants (CDC) related to a potential energy curve U(r) and v.
are the centrifugal distortion constants, [[phi].sub.0] is the pure vibrational wave function, and [[phi].sub.i] is the rotational correction.
We present in Table SF7 (Supplementary Material file) the vibrational energy levels [E.sub.v], the rotational constants [B.sub.v], and the centrifugal distortion constants [D.sub.v], [H.sub.v], [L.sub.v] of the of the Morse potential for the molecule CO near dissociation (from v = 41 to v= 81).
This method showed that a high order precision is obtained for large order centrifugal distortion constant as [D.sub.v], [H.sub.v], ...
In the supplementary material there are three main files: (1) Read me: Rovib-1 is a program for calculating the rovibrational energy eigenvalues [E.sub.vJ], the rotational constant [B.sub.v], and large order centrifugal distortion constants [D.sub.v], [H.sub.v], [L.sub.v], ...
Zare, "Calculation of centrifugal distortion constants for diatomic molecules from RKR potentials," Journal of Molecular Spectroscopy, vol.
Hutson, "Centrifugal distortion constants for diatomic molecules: An improved computational method," Journal of Physics B: Atomic, Molecular and Optical Physics, vol.
Tellinghuisen, "An improved method for the direct computation of diatomic centrifugal distortion constants," Journal of Molecular Spectroscopy, vol.
Kobeissi, "Diatomic centrifugal distortion constants for large orders at any level: application to the state," Canadian Journal of Chemistry, vol.
Korek, "One compact analytic expression of the diatomic centrifugal distortion constants to any order," Journal of Physics B: Atomic, Molecular and Optical Physics, vol.
Kobeissi, "Highly accurate diatomic centrifugal distortion constants for high orders and high levels," Journal of Computational Chemistry, vol.