| SIMULTANEOUS ANALYSIS OF VIBRATIONAL POLYADS IN SYMMETRIC AND SPHERICAL TOPS. THEORETICAL AND NUMERICAL ASPECTS ILLUSTRATED ON $CH_{4}, CD_{4}$ AND $CH_{3}F$ (1985) | |||||||||
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| Author Institution: Laboratoire de Spectronomie Mol\'eculaire, Unit\'e de Recherche associ\'ee au CNRS, Universit\'e de DIJON. Two types of spectroscopic data are currently available: 1) High resolution data covering wide spectral regions (for instance infrared Fourier transform data with a typical precision of $0.0001 cm^{-1}$). 2) Very high resolution data on a restricted number of transitions (such as laser experiments or microwave data with a typical precision of 50 kHz). From the theoretical point of view, considerable progress has been achieved 1) by developing effective Hamiltonians adapted to the study of vibrational polyads (including all important interactions). 2) by reducing such effective Hamiltonians (i.e. by removing any theoretical ambigulty affecting spectroscopic parameters). The present work is a comprehensive approach of the question: How to get reliable spectroscopic constants from fitting spectroscopic data? The consequences of the experimental and theoretical conditions mentionned above on the computer treatment of the problem are analysed and Illustrated by the following applications: Insert Figure | |||||||||
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