COLLISIONAL PROCESSES AND APPLICATIONS
(Department of Optics and Matter-Radiation Interaction)
Spherical top molecules are known for the complexity of their spectra . The HTDS software intends to allow the user to calculate energy levels or transition frequencies and intensities of any band system of XY6 spherical tops  whose analyses have been performed over the recent decades or are presently in progress. It is designed for UNIX (including Linux and Mac OS X) and Windows machines. It consists in a complete library of FORTRAN (ANSI 77) routines managed by jobs included in the package. HTDS generates prediction ASCII files from spectroscopic constants resulting from data reduction of experimental spectra. Most of spectroscopic constants have been obtained by comprehensive modeling and simultaneous fitting. In a few cases, only effective parameters of phenomenological models are available. Programs and job templates for analysis are also provided. A complete description of HTDS is reported in .
Main HTDS characteristics :
182WF6 , 183WF6 , 184WF6 , 186WF6 , 80SeF6 , 32SF6 , 33SF6 , 34SF6, 235UF6, 238UF6, Mo(CO)6
 J.-P. Champion, M. Loëte and G. Pierre, Spherical Top Spectra. In K.N. Rao and A. Weber editors, Spectroscopy of the Earth's Atmosphere and Interstellar Medium. Academic Press, San Diego (1992).
 N. Cheblal, M. Loëte and V. Boudon, Development of the Dipole Moment and Polarizability Operators of Octahedral Molecules. Journal of Molecular Spectroscopy, 197, 222-231 (1999).
 Ch. Wenger V. Boudon, J.-P. Champion and G. Pierre, Highly-Spherical Top Data System (HTDS)
Software for the Spectrum Simulation of Octahedral XY6
Molecules. Journal of Quantitative Spectroscopy and Radiative
Transfer, 66, 1-16 (2000).
|Get README (Unix-like)|
|Get Unix-like version (for non Intel compatible processors)|
|Get Unix-like version (for Intel compatible processors)|
|Get README (Windows)|
|Get Windows version|
|Description of the HTDS system|
2 - Get one of the available packages:
| Get Unix-like version (for non Intel compatible processors)
Get Unix-like version (for Intel compatible processors)
3 - Start installation using:
|gunzip < HTDS.tar.gz | tar xvf -
or gunzip < HTDS_PC.tar.gz | tar xvf -
WARNING : All files are installed in the new ./HTDS directory.
4 - Continue installation following instructions in "htds_README".
Instructions for Mac OS X users : You need to install the GNU Fortran compiler g77 that can beinstalled using Fink. C2vTDS works also well with the Absoft Pro Fortran compiler and the PGI compiler. Install C2vTDS as described above.
Tel. : +33.3 184.108.40.206
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