A COLLECTION OF COMPUTER PROGRAMS FOR THE ROTATIONAL ANALYSIS OF ASYMMETRIC ROTOR SPECTRA

Abstract

A series of Fortran IV computer programs has been written which perform most of the calculations involved in the analysis of asymmetric rotor spectra and the determination of rotational constants. The collection includes: 1) a program to compute a spectrum from a set of energy levels and rotational constants. 2) a program to derive a least-squares fitted set of energy levels from observed pure rotational transitions and combination-difference relations, 3) a program to derive rotational constants from a set of energy levels, and 4) several intermediate utility programs. The use of these programs in the analysis of the spectrum of water vapor will be demonstrated.