Critical evaluation of measured line positions of 14N16O in X2П state

Sulakshina, O. N.; Borkov, Yu.G.

doi:10.1016/j.jqsrt.2018.01.020

Cited by 8 publications

(7 citation statements)

References 48 publications

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“…The MARVEL approach [49,50] used to obtain empirical energy levels in the calculation of NOname is similar to the RITZ method [30] used by Sulakshina and Borkov [38]. Their comparisons between energy levels for resolved Λ-doublets of 14 N 16 O coincide within the experimental uncertainty below J = 37.5.…”

Section: Comparisons Of the Noname Line Listmentioning

confidence: 83%

“…Some small corrections were made during the production of HITRAN2008 [37], with the inclusion of 948 magnetic dipole transitions included for the 0 − 0 band. Recent analysis by Sulakshina and Borkov [38] observed small systematic shifts for unresolved Λ-doublets of 1/2 − 3/2 sub-bands, corresponding to the additions from Goldman et al [35].…”

Section: No In Hitran2016mentioning

confidence: 95%

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Spectroscopic line parameters of NO, NO2, and N2O for the HITEMP database

Hargreaves

Gordon

Rothman

et al. 2019

Journal of Quantitative Spectroscopy and Radiative Transfer

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This work describes the update of NO along with the incorporation of NO 2 and N 2 O to the HITEMP database. Where appropriate, the HITRAN line lists for the same molecules have also been updated. This work brings the current number of molecules provided by HITEMP to seven. The initial line lists originating from ab initio and semi-empirical methods for each molecule have been carefully validated against available observations and, where necessary, adjustments have been made to match observations. We anticipate this work will be applied to a variety of high-temperature environments including astronomical applications, combustion monitoring, and non-local thermodynamic equilibrium conditions.

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Section: Comparisons Of the Noname Line Listmentioning

confidence: 83%

Section: No In Hitran2016mentioning

confidence: 95%

Spectroscopic line parameters of NO, NO2, and N2O for the HITEMP database

Hargreaves

Gordon

Rothman

et al. 2019

Journal of Quantitative Spectroscopy and Radiative Transfer

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show abstract

“…Sulakshina and Borkov compared the ground state energies calculated by their RITZ code 66 with our previous MARVEL result. 25 The MARVEL analysis here updates the energy values of the X 2 Π state by including new rovibronic transitions; as shown in Fig.…”

Section: Fig 6 the Differences Between The Amentioning

confidence: 99%

A spectroscopic model for the low-lying electronic states of NO

Cooper

Yurchenko

et al. 2021

The Journal of Chemical Physics

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The rovibronic structure of A 2 Σ + , B 2 Π, and C 2 Π states of nitric oxide (NO) is studied with the aim of producing comprehensive line lists for its near ultraviolet spectrum. Empirical energy levels for the three electronic states are determined using a combination of the empirical measured active rotation-vibration energy level (MARVEL) procedure and ab initio calculations, and the available experimental data are critically evaluated. Ab initio methods that deal simultaneously with the Rydberg-like A 2 Σ + and C 2 Π and the valence B 2 Π state are tested. Methods of modeling the sharp avoided crossing between the B 2 Π and C 2 Π states are tested. A rovibronic Hamiltonian matrix is constructed using the variational nuclear motion program DUO whose eigenvalues are fitted to the MARVEL. The matrix also includes coupling terms obtained from the refinement of the ab initio potential energy and spin-orbit coupling curves. Calculated and observed energy levels agree well with each other, validating the applicability of our method and providing a useful model for this open shell system.

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“…This is especially true for high J levels belonging to the Ω = 3 2 series (see Fig. 8(b) of Sulakshina and Borkov's 66 ). The majority of levels agree within the uncertainty of their determination.…”

Section: Marvel Analysis Of the Rovibronic Energy Levels Of 14 N 16 Omentioning

confidence: 88%

“…The MARVEL transitions (input) file and energies (output) file are given as part of the supplementary data. Sulakshina and Borkov compared the ground state energies calculated by their RITZ code 66 with our previous MARVEL result 25 . The MARVEL analysis here updates the energy values of the X 2 Π state by including new rovibronic transitions; as shown in Fig.…”

Section: Marvel Analysis Of the Rovibronic Energy Levels Of 14 N 16 Omentioning

confidence: 99%

A spectroscopic model for the low-lying electronic states of NO

Qu,

Cooper,

Yurchenko

et al. 2021

Preprint

View full text Add to dashboard Cite

The rovibronic structure of A 2 Σ + , B 2 Π and C 2 Π states of nitric oxide (NO) is studied with the aim of producing comprehensive line lists for its near ultraviolet spectrum. Empirical energy levels for the three electronic states are determined using the a combination of the empirical MARVEL procedure and ab initio calculations, and the available experimental data are critically evaluated. Ab inito methods which deal simultaneously with the Rydberg-like A 2 Σ + and C 2 Π, and the valence B 2 Π state are tested. Methods of modeling the sharp avoided crossing between the B 2 Π and C 2 Π states are tested. A rovibronic Hamiltonian matrix is constructed using variational nuclear motion program DUO whose eigenvalues are fitted to the MARVEL energy levels. The matrix also includes coupling terms obtained from the refinement of the ab initio potential energy and spin-orbit coupling curves. Calculated and observed energy levels agree well with each other, validating the applicability of our method and providing a useful model for this open shell system.

show abstract

Critical evaluation of measured line positions of 14N16O in X2П state

Cited by 8 publications

References 48 publications

Spectroscopic line parameters of NO, NO2, and N2O for the HITEMP database

Spectroscopic line parameters of NO, NO2, and N2O for the HITEMP database

A spectroscopic model for the low-lying electronic states of NO

A spectroscopic model for the low-lying electronic states of NO

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