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A variationally computed line list for hot NH3
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We present 'BYTe', a comprehensive 'hot' line list for the ro-vibrational transitions of ammonia, 14NH3, in its ground electronic state. This line list has been computed variationally using the program suite TROVE, a new spectroscopically-determined potential energy surface and an ab initio dipole moment surface. BYTe, is designed to be used at all temperatures up to 1500K. It comprises 1137650964 transitions in the frequency range from 0 to 12000 cm-1, constructed from 1366519 energy levels below 18000 cm-1 having J values below 36. Comparisons with laboratory data confirm the accuracy of the line list which is suitable for modelling a variety of astrophysical problems including the atmospheres of extrasolar planets and brown dwarfs.
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Controlling rovibrational state populations of polar molecules in inhomogeneous electric fields of the Stark deceleration: molecular dynamics and quantum chemistry simulations
A modified SCRAP technique using the decelerator's time-varying dc electric field as the chirp can achieve >99.5% population inversion between weak-field- and strong-field-seeking states of ammonia, improving Stark de...
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