Polarizability tensor invariants of H2, HD, and D2

Ankit Raj, Hiro O. Hamaguchi, Henryk A. Witek

Research output: Contribution to journalArticlepeer-review

12 Scopus citations


We report an exhaustive compilation of wavelength-dependent matrix elements over the mean polarizability (ᾱ) and polarizability anisotropy (γ) operators for the rovibrational states of the H2, HD, and D2 molecules together with an accompanying computer program for their evaluation. The matrix elements can be readily evaluated using the provided codes for rovibrational states with J = 0-15 and v = 0-4 and for any laser wavelengths in the interval 182.25-1320.6 nm corresponding to popular, commercially available lasers. The presented results substantially extend the scope of the data available in the literature, both in respect of the rovibrational transitions analyzed and the range of covered laser frequencies. The presented detailed tabulation of accurate polarizability tensor invariants is essential for successful realization of our main long-term goal: developing a universal standard for determining absolute Raman cross sections and absolute Raman intensities in experimental Rayleigh and Raman scattering studies of molecules.

Original languageEnglish
Article number104308
Number of pages11
JournalJournal of Chemical Physics
Issue number10
StatePublished - 14 Mar 2018


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