Physics Commons^™

Exomol Line List – Xxi. Nitric Oxide (No), Andy Wong, Sergei N. Yurchenko, Peter Bernath, Holger S.P. Müller, Stephanie Mcconkey, Jonathan Tennyson

Chemistry & Biochemistry Faculty Publications

Line lists for the X ²Pi electronic ground state for the parent isotopologue of nitric oxide (¹⁴N¹⁶O) and five other major isotopologues (¹⁴N¹⁷O, ¹⁴N¹⁸O, ¹⁵N¹⁶O, ¹⁵N¹⁷O and ¹⁵N¹⁸O) are presented. The line lists are constructed using empirical energy levels (and line positions) and high-level ab initio intensities. The energy levels were obtained using a combination of two approaches, from an effective Hamiltonian and from solving the rovibronic Schrödinger equation variationally. The effective Hamiltonian model was obtained through a fit …