NASA Technical Reports Server (NASA) · 1996 · 186 citations · 5 references
Open access
Natural SciencesChemistryPhysicsMolecular PhysicsRadiation TransportSpectroscopyAbsorption SpectroscopyAtomic Absorption SpectroscopyEmission SpectroscopyRadiation SpectroscopyRotational SpectroscopySpectroscopy TheoryAbsorption SpectraAbsorption Spectrum CalculationEmission Spectrum CalculationLine Of Sight AlgorithmsLine-by-line Radiative CalculationsLine-by-line Radiative TransferRotational Energy LevelsRotational Levels
This document is the User's Manual for a new version of the NEQAIR computer program, NEQAIR96. The program is a line-by-line and a line-of-sight code. It calculates the emission and absorption spectra for atomic and diatomic molecules and the transport of radiation through a nonuniform gas mixture to a surface. The program has been rewritten to make it easy to use, run faster, and include many run-time options that tailor a calculation to the user's requirements. The accuracy and capability have also been improved by including the rotational Hamiltonian matrix formalism for calculating rotational energy levels and Hoenl-London factors for dipole and spin-allowed singlet, doublet, triplet, and quartet transitions. Three sample cases are also included to help the user become familiar with the steps taken to produce a spectrum. A new user interface is included that uses check location, to select run-time options and to enter selected run data, making NEQAIR96 easier to use than the older versions of the code. The ease of its use and the speed of its algorithms make NEQAIR96 a valuable educational code as well as a practical spectroscopic prediction and diagnostic code.
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Theory of first rotational lines in transitions of diatomic molecules
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Natural Sciences, Chemistry, Physics +14