Advanced graphical software for assignments of transitions in rovibrational spectra

作者：Lodyga W; Kreglewski M; Pracna P^*; Urban S

来源：Journal of Molecular Spectroscopy, 2007, 243(2): 182-188.

DOI：10.1016/j.jms.2007.02.004

• assignments of high-resolution molecular spectra
• combination difference checking
• Loomis-Wood algorithm

We have developed advanced graphical software for significantly accelerated and verified assignments of rotationally resolved rovibrational molecular spectra. The program combines the traditional approach of Loomis-Wood diagrams, which are used to visualize spectral branches and facilitate their identification, with the power of interactive combination difference checking, which provides an immediate verification of correct assignments of quantum numbers to spectral lines. Assignment procedures and other tools of the program are designed in a fully graphical Windows environment to accelerate the usually tedious assignment work and make the use of the program highly intuitive. The use of an appropriate rovibrational Hamiltonian for fitting the assigned transitions is made easy by the flexible, user-programmed interfaces for exporting assigned data directly in the needed format and importing rovibrational energies back to the assignment program. The program is designed for the MS Windows operating systems and is available upon request with a full documentation on http://www.lww.amu.edu.pl.

• 出版日期2007-6