Lorenzo Lodi

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In most cases authors are permitted to post their version of the article (e.g. in Word or Tex form) to their personal website or institutional repository. Authors requiring further information regarding Elsevier's archiving and manuscript policies are encouraged to visit: Keywords: Water vapor Transition wavenumbers Atmospheric physics Energy levels MARVEL(More)
New line lists for isotopically substituted water are presented. Most line positions were calculated from experimentally determined energy levels, while all line intensities were computed using an ab initio dipole moment surface. Transitions for which experimental energy levels are unavailable use calculated line positions. These line lists cover the range(More)
Pure rotational lines are important for monitoring water concentrations in many environments both in space and on earth. A list of line intensities of rotational transitions for H 2 16 O is calculated using variational nuclear-motion wave functions and an ab initio dipole moment surface. This methodology should be equally reliable for both allowed and(More)
In most cases authors are permitted to post their version of the article (e.g. in Word or Tex form) to their personal website or institutional repository. Authors requiring further information regarding Elsevier's archiving and manuscript policies are encouraged to visit: a b s t r a c t High-level ab initio electronic structure and variational nuclear(More)
Triple-resona nce vibra tional spectroscopy is used to determine the lowest dissociation energy, D 0 , for the water isotopologue HD 16 O as 41 239.7 ± 0.2 cm À1 and to improve D 0 for H 2 16 O to 41 145.92 ± 0.12 cm À1. Ab initio calculations including systematic basis set and electron correlation convergence studies, relativ-istic and Lamb shift effe cts(More)
A recently computed, high-accuracy ab initio Born-Oppenheimer (BO) potential energy surface (PES) for the water molecule is combined with relativistic, adiabatic, quantum electrodynamics, and, crucially, nonadiabatic corrections. Calculations of ro-vibrational levels are presented for several water isotopologues and shown to have unprecedented accuracy. A(More)
  • Jonathan Yurchenko, Attila G Tennyson, Oleg V Császár, Oleg L Boyarkin, Nikolay F Polyansky, Irina I Zobov +10 others
  • 2012
(11 articles) chemical physics (13 articles) atomic and molecular physics collections Articles on similar topics can be found in the following Email alerting service here in the box at the top right-hand corner of the article or click Receive free email alerts when new articles cite this article-sign up Given the large energy required for its electronic(More)
In most cases authors are permitted to post their version of the article (e.g. in Word or Tex form) to their personal website or institutional repository. Authors requiring further information regarding Elsevier's archiving and manuscript policies are encouraged to visit: a b s t r a c t A new, accurate, global, mass-independent, first-principles potential(More)
(22 articles) high-energy physics collections Articles on similar topics can be found in the following Email alerting service here in the box at the top right-hand corner of the article or click Receive free email alerts when new articles cite this article-sign up The molecular ion H + 3 is the simplest polyatomic and poly-electronic molecular system, and(More)
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