METIS is a mid-infrared instrument proposed for the European Extremely Large Telescope (E-ELT). It is designed to provide imaging and spectroscopic capabilities in the 3 - 14 micron region up to a spectral resolution of 100000. One of the novel concepts of METIS is that of a high-resolution integral field spectrograph (IFS) for a diffraction-limited mid-IR instrument. While this concept has many scientific and operational advantages over a long-slit spectrograph, one drawback is that the spectral resolution changes over the field of view. This has an impact on the procedures to correct for telluric absorption lines imprinted on the science spectra. They are a major obstacle in the quest to maximize spectral fidelity, the ability to distinguish a weak spectral feature from the continuum. The classical technique of division by a standard star spectrum, observed in a single IFS spaxel, cannot simply be applied to all spaxels, because the spectral resolution changes from spaxel to spaxel. Here we present and discuss possible techniques of telluric line correction of METIS IFS spectra, including the application of synthetic model spectra of telluric transmission, to maximize spectral fidelity.
We report a method of correcting a near-infrared (0.90-1.35 $mu$m) high-resolution ($lambda/Deltalambdasim28,000$) spectrum for telluric absorption using the corresponding spectrum of a telluric standard star. The proposed method uses an A0,V star or its analog as a standard star from which on the order of 100 intrinsic stellar lines are carefully removed with the help of a reference synthetic telluric spectrum. We find that this method can also be applied to feature-rich objects having spectra with heavily blended intrinsic stellar and telluric lines and present an application to a G-type giant using this approach. We also develop a new diagnostic method for evaluating the accuracy of telluric correction and use it to demonstrate that our method achieves an accuracy better than 2% for spectral parts for which the atmospheric transmittance is as low as $sim$20% if telluric standard stars are observed under the following conditions: (1) the difference in airmass between the target and the standard is $lesssim 0.05$; and (2) that in time is less than 1 h. In particular, the time variability of water vapor has a large impact on the accuracy of telluric correction and minimizing the difference in time from that of the telluric standard star is important especially in near-infrared high-resolution spectroscopic observation.
Correcting for the sky signature usually requires supplementary calibration data which are very expensive in terms of telescope time. In addition, the scheduling flexibility is restricted as these data have to be taken usually directly before/after the science observations due to the high variability of the telluric absorption which depends on the state and the chemical composition of the atmosphere at the time of observations. Therefore, a tool for sky correction, which does not require this supplementary calibration data, saves a significant amount of valuable telescope time and increases its efficiency. We developed a software package aimed at performing telluric feature corrections on the basis of synthetic absorption spectra.
Context: The interaction of the light from astronomical objects with the constituents of the Earths atmosphere leads to the formation of telluric absorption lines in ground-based collected spectra. Correcting for these lines, mostly affecting the red and infrared region of the spectrum, usually relies on observations of specific stars obtained close in time and airmass to the science targets, therefore using precious observing time. Aims: We present molecfit, a tool for correcting for telluric absorption lines based on synthetic modelling of the Earths atmospheric transmission. Molecfit is versatile and can be used with data obtained with various ground-based telescopes and instruments. Methods: Molecfit combines a publicly available radiative transfer code, a molecular line database, atmospheric profiles, and various kernels to model the instrument line spread function. The atmospheric profiles are created by merging a standard atmospheric profile representative of a given observatorys climate, of local meteorological data, and of dynamically retrieved altitude profiles for temperature, pressure, and humidity. We discuss the various ingredients of the method, its applicability, and its limitations. We also show examples of telluric line correction on spectra obtained with a suite of ESO Very Large Telescope (VLT) instruments. Results: Compared to previous similar tools, molecfit takes the best results for temperature, pressure, and humidity in the atmosphere above the observatory into account. As a result, the standard deviation of the residuals after correction of unsaturated telluric lines is frequently better than 2% of the continuum. Conclusion: Molecfit is able to accurately model and correct for telluric lines over a broad range of wavelengths and spectral resolutions. (Abridged)
We describe a fast parallel iterative method for computing molecular absorption spectra within TDDFT linear response and using the LCAO method. We use a local basis of dominant products to parametrize the space of orbital products that occur in the LCAO approach. In this basis, the dynamical polarizability is computed iteratively within an appropriate Krylov subspace. The iterative procedure uses a a matrix-free GMRES method to determine the (interacting) density response. The resulting code is about one order of magnitude faster than our previous full-matrix method. This acceleration makes the speed of our TDDFT code comparable with codes based on Casidas equation. The implementation of our method uses hybrid MPI and OpenMP parallelization in which load balancing and memory access are optimized. To validate our approach and to establish benchmarks, we compute spectra of large molecules on various types of parallel machines. The methods developed here are fairly general and we believe they will find useful applications in molecular physics/chemistry, even for problems that are beyond TDDFT, such as organic semiconductors, particularly in photovoltaics.