This paper describes the contents of the 2016 edition of the HITRAN molecular spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2012 and its updates during the intervening years. The HITRAN molecular absorption compilation is composed of five major components: the traditional line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, infrared absorption cross-sections for molecules not yet amenable to representation in a line-by-line form, collision-induced absorption data, aerosol indices of refraction, and general tables such as partition sums that apply globally to the data. The new HITRAN is greatly extended in terms of accuracy, spectral coverage, additional absorption phenomena, added line-shape formalisms, and validity. Moreover, molecules, isotopologues, and perturbing gases have been added that address the issues of atmospheres beyond the Earth. Of considerable note, experimental IR cross-sections for almost 300 additional molecules important in different areas of atmospheric science have been added to the database. The compilation can be accessed through www.hitran.org. Most of the HITRAN data have now been cast into an underlying relational database structure that offers many advantages over the long-standing sequential text-based structure. The new structure empowers the user in many ways. It enables the incorporation of an extended set of fundamental parameters per transition, sophisticated line-shape formalisms, easy user-defined output formats, and very convenient searching, filtering, and plotting of data. A powerful application programming interface making use of structured query language (SQL) features for higher-level applications of HITRAN is also provided.

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The HITRAN 2008 molecular spectroscopic database

Tables of integrals

Transparent conductors as solar energy materials: A panoramic review

This paper describes the status circa 2001, of the HITRAN compilation that comprises the public edition available through 2001. The HITRAN compilation consists of several components useful for radiative transfer calculation codes: high-resolution spectroscopic parameters of molecules in the gas phase, absorption cross-sections for molecules with very dense spectral features, aerosol refractive indices, ultraviolet line-by-line parameters and absorption cross-sections, and associated database management software. The line-by-line portion of the database contains spectroscopic parameters for 38 molecules and their isotopologues and isotopomers suitable for calculating atmospheric transmission and radiance properties. Many more molecular species are presented in the infrared cross-section data than in the previous edition, especially the chlorofluorocarbons and their replacement gases. There is now sufficient representation so that quasi-quantitative simulations can be obtained with the standard radiance codes. In addition to the description and justification of new or modified data that have been incorporated since the last edition of HITRAN (1996), future modifications are indicated for cases considered to have a significant impact on remote-sensing experiments. (C) 2003 Elsevier Ltd. All rights reserved.

The HITRAN molecular spectroscopic database: edition of 2000 including updates through 2001

While use of curvilinear coordinates such as bond lengths and bond angles is common in accurate spectroscopic and/or scattering calculations for triatomic and other small molecules, their use for large molecules is uncommon and restricted. For large molecules, normal-mode analysis is feasible but gives sensible results only if the dynamical or spectroscopic process being considered involves changes in angular coordinates, including ring deformations, which are so small that the motion can be approximated by its tangential component. We describe an approximate method by which curvilinear normal-mode-projected displacements and hence Franck–Condon factors, reorganization energies, and vibronic coupling constants, as well as Duschinsky (Dushinsky, Duschinskii) rotation matrices, can be evaluated for large systems. Three illustrative examples are provided: (i) to understand the nature of the first excited state of water, illustrating properties of large-amplitude bending motions; (ii) to understand the nature of the “boat” relaxation of the first excited state of pyridine, illustrating properties of large-amplitude torsional motions; and (iii) to understand the coupling of vibrational modes to the oxidation of bacteriochlorophyll-a, a paradigm with many applications to both chemical and biological electron transfer, illustrating properties of macrocyclic deformations. The method is interfaced to a wide variety of computational chemistry computer programs.

A practical method for the use of curvilinear coordinates in calculations of normal-mode-projected displacements and Duschinsky rotation matrices for large molecules

A. Belafhal

Papers

Propagation properties of Hermite-cosh-Gaussian laser beams

N-body Quantum-mechanical Hamiltonians - Extrapotential Terms

Collins formula and propagation of Bessel-modulated Gaussian light beams through an ABCD optical system

Focusing properties and focal shift in hyperbolic-cosine-Gaussian beams

Paraxial propagation of Mathieu beams through an apertured ABCD optical system