@article{494fbf6be9f242379ece831e3b3047c3,
title = "Revisiting the photoabsorption spectrum of NH3 in the 5.4-10.8 eV energy region",
abstract = "We present a comprehensive revisited experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectrum of ammonia, NH3, covering for the first time the full 5.4-10.8 eV energy-range, with absolute cross sections determined. The calculations on the vertical excitation energies and oscillator strengths were performed using the equation-of-motion coupled cluster method restricted to single and double excitation levels and used to help reanalyze the observed Rydberg structures in the photoabsorption spectrum. The VUV spectrum reveals several new features that are not previously reported in the literature, with particular reference to the vibrational progressions of the (D'1EX'1A1′), the (F'1EX'1A1′), and the (G'1A2X'1A1′) absorption bands. In addition, new Rydberg members have been identified in nda11a2″D'′′1A2X'1A1′, where n > 3 has not been reported before as well as in nde1a2″F'1EX'1A1′ and in nsa1 1a2″G'1A2X'1A1′. The measured absolute photoabsorption cross sections have been used to calculate the photolysis lifetime of ammonia in the Earth's atmosphere (0-50 km).",
author = "P. Lim{\~a}o-Vieira and Jones, {N. C.} and Hoffmann, {S. V.} and D. Duflot and M. Mendes and Lozano, {A. I.} and {Ferreira Da Silva}, F. and G. Garc{\'i}a and M. Hoshino and H. Tanaka",
note = "info:eu-repo/grantAgreement/FCT/5876/147258/PT# FCT-MCTES through Grant No. PD/BD/106038/2015. IF-FCT IF/00380/2014. Grant Nos. UID/FIS/00068/2019 (CEFITEC), PTDC/FIS-AQM/31281/2017, and PTDC/FIS-AQM/31215/2017. Radiation Biology and Biophysics Doctoral Training Programme (RaBBiT, Grant No. PD/00193/2012). The authors wish to acknowledge the beam time at the ISA synchrotron radiation source ASTRID2, Aarhus University, Denmark. D.D. acknowledges the support of the grants OVERSEE and CAPPA, managed by the Agence Nationale de la Recherche, Contract Numbers ANR-16-IDEX-0004 ULNE (I-SITE ULNE) and ANR-10-LABX-005 (CAPPA). D.D. also thanks the Region Hauts de France, the Ministere de l'Enseignement Superieur et de la Recherche (CPER Climibio), and the European Fund for Regional Economic Development for their support. This work used HPC resources from GENCI-TGCC (Grant No. 2019-A0010806820) and the Centre de Ressources Informatiques (CRI) of the Universite de Lille. G.G. acknowledges partial support from the Spanish Ministerio de Ciencia, Innovacion y Universidades (Project No. FIS2016-80440) and CSIC (Project No. LINKA20085). This work was conducted under the support of the Ministry of Education, Culture, Sport, Science and Technology (MEXT), Japan.",
year = "2019",
month = nov,
day = "14",
doi = "10.1063/1.5128051",
language = "English",
volume = "151",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "AMER INST PHYSICS",
number = "18",
}