相关论文: A high accuracy computed water line list

New line lists are presented for the two most abundant water isotopologues; H$_{2}$$^{16}$O and H$_{2}$$^{18}$O. The H$_{2}$$^{16}$O line list extends to 25710 cm$^{-1}$ with intensity stabilities provided via ratios of calculated…

The recently puplished Barber-Tennyson (BT2) synthetic H$_2$O water line list is the most complete and accurate line list in existence. It is finding application in a wide range of astrophysical environments. UKIRT spectra of comet Tempel…

An absorption spectrum of H$_2$$^{16}$O at 1950 K is recorded in a premixed methane/air flat flame using a cavity-enhanced optical frequency comb-based Fourier transform spectrometer. 2417 absorption lines are identified in the 6250 -- 6670…

Atmospheric carbon dioxide concentrations are being closely monitored by remote sensing experiments which rely on knowing line intensities with an uncertainty of 0.5% or better. We report a theoretical study providing rotation-vibration…

The discovery of the near infrared windows into the Venus deep atmosphere has enabled the use of remote sensing techniques to study the composition of the Venus atmosphere below the clouds. In particular, water vapor absorption lines can be…

A comprehensive, calculated line list of frequencies and transition probabilities for the singly deuterated isotopologue of H3+, H2D+, is presented. The line list, called ST1, contains over 22 million rotational-vibrational transitions…

We have conducted a study combining H2O lines in two spectral regions. First, Infrared Space Observatory observations of several H2O thermal lines seen in absorption toward Sgr B2(M) at a spectral resolution of 35 kms^-1 have been analyzed.…

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…

A new hot line list for the main isotopologue of CO$_2$ is presented. The line list consists of almost 2.5 billion transitions between 3.5 million rotation-vibration states of CO$_2$ in its ground electronic state, covering the wavenumber…

We present high resolution (R = 90,000) mid-infrared spectra of M dwarfs. The mid infrared region of the spectra of cool low mass stars contain pure rotational water vapour transitions that may provide us with a new methodology in the…

Remote sensing experiments require high-accuracy, preferably sub-percent, line intensities and in response to this need we present computed room temperature line lists for six symmetric isotopologues of carbon dioxide: $^{13}$C$^{16}$O$_2$,…

A computed line list for hydrogen peroxide, H$_2{}^{16}$O$_2$, applicable to temperatures up to $T=1250$~K is presented. A semi-empirical high accuracy potential energy surface is constructed and used with an {\it ab initio} dipole moment…

An accurate and comprehensive room temperature rotation-vibration transition line list for phosphine (31PH3) is computed using a newly refined potential energy surface and a previously constructed ab initio electric dipole moment surface.…

In the framework of the Herschel-WISH key program, several ortho-H2O and para-H2O emission lines, in the frequency range from 500 to 1700 GHz, were observed with the HIFI instrument in two bow-shock regions (B2 and R) of the L1157 cloud.…

First detections of thermal water vapor absorption lines have been made toward Orion IRc2 using the Short Wavelength Spectrometer (SWS) on board the Infrared Space Observatory (ISO). Grating spectra covering wavelengths 25-45 micron yield…

Hot line lists for two isotopologues of water, \octo\ and \heto, are presented. The calculations employ newly constructed potential energy surfaces (PES) which take advantage of a novel method for using the large set of experimental energy…

A new hot line list is calculated for $^{12}$CH$_4$ in its ground electronic state. This line list, called 10to10, contains 9.8 billion transitions and should be complete for temperatures up to 1500 K. It covers the wavelengths longer than…

A new line list for H$_2$$^{16}$O is presented. This line list, which is called POKAZATEL, includes transitions between rotation-vibrational energy levels up to 41000 cm$^{-1}$ in energy and is the most complete to date. The potential…

The infrared absorption spectrum of the protonated water dimer (H5O2+) is simulated in full dimensionality (15D) in the spectral range 0-4000 cm-1. The calculations are performed using the Multiconfiguration Time-Dependent Hartree (MCTDH)…

This work presents the AYT2 line list: a comprehensive list of 114 million $^{1}$H$_2$$^{32}$S vibration-rotation transitions computed using an empirically-adjusted potential energy surface and an {\it ab initio} dipole moment surface. The…