Journal ArticleDOI
Ambiguity of spectroscopic parameters in the case of accidental vibration—rotation resonances in tetrahedral molecules. r2J and r2J2 terms for E-F2 interacting states☆
TLDR
In this article, the ambiguity of spectroscopic parameters in the case of accidental vibration is discussed, and the rotation resonances in tetrahedral molecules are discussed in the presence of an accidental vibration.About:
This article is published in Chemical Physics Letters.The article was published on 1984-02-17. It has received 54 citations till now. The article focuses on the topics: Tetrahedral molecular geometry.read more
Citations
More filters
Journal ArticleDOI
TheoReTS – An information system for theoretical spectra based on variational predictions from molecular potential energy and dipole moment surfaces
TL;DR: Theoretical Reims-Tomsk Spectral data ( TheoReTS) as mentioned in this paper is an Internet accessible information system devoted to ab initio based rotationally resolved spectra predictions for some relevant molecular species.
Journal ArticleDOI
Accurate spectroscopic models for methane polyads derived from a potential energy surface using high-order contact transformations.
Vladimir G. Tyuterev,Sergei A. Tashkun,Michael Rey,Roman V. Kochanov,Andrei Nikitin,Thibault Delahaye +5 more
TL;DR: A new spectroscopic model is developed for theoretical predictions of vibration-rotation line positions and line intensities of the methane molecule and allows generating a spectral line list for the Dyad and Pentad bands with the accuracy ~10(-3) cm(-1) for line positions combined with ab initio predictions for line intensity.
Journal ArticleDOI
Accurate Theoretical Methane Line Lists in the Infrared up to 3000 K and Quasi-continuum Absorption/Emission Modeling for Astrophysical Applications
Journal ArticleDOI
Analysis of the ν2ν4 dyad of 12CH4 and 13CH4
TL;DR: In this article, the line positions of the ν 2 ν 4 dyad near 7 μm have been measured with a precision of 0.00006 cm−1 using 0.0055 and 0.011 cm− 1 resolution spectra recorded with the Fourier Transform spectrometer at Kitt Peak National Observatory/National Solar Observatory.
References
More filters
Journal ArticleDOI
The anharmonic force field and equilibrium structure of methane
D.L. Gray,A.G. Robiette +1 more
TL;DR: In this article, the anharmonic force field of methane has been refined to fit spectroscopic data from the isotopic species 12CH4, 13 CH4, 12 CH4.
Journal ArticleDOI
Generalized perturbation theory in operator form
TL;DR: In this article, the concept of a T-operator is generalized and used to compose a solution of a complicated quantum mechanical problem from subproblems connected therein, which is called R.E.U.
Journal ArticleDOI
Développement complet de l'hamiltonien de vibration–rotation adapté à l'étude des interactions dans les molécules toupies sphériques. Application aux bandes ν2 et ν4 de 12CH4
TL;DR: In this paper, the Coriolis interaction between ν2 and ν4 of CH4 has been studied using an unsymmetrized coupling scheme in the group Td.
Journal ArticleDOI
Simultaneous analysis of the ν2 and ν4 bands of methane
D.L. Gray,A.G. Robiette +1 more
TL;DR: In this paper, a simultaneous diagonalization of the hamiltonian matrices for the v 2 = 1 and v 4 = 1 states coupled by the Bξ2,4 Coriolis interaction term was used.
Journal ArticleDOI
Generalized contact transformations of a hamiltonian with a quasi-degenerate zero-order approximation. Application to accidental vibration- rotation resonances in molecules
Vi. G. Tyuterev,V.I. Perevalvo +1 more
TL;DR: In this article, the superopcrator formulation of contact transformations is generalized for the case of the quasi-degenerate zero-order approximation and the ambiguity of (CT) eff is considered: it is found that the results of some other perturbation methods can be obtained as particular cases of it.
Related Papers (5)
Spherical top data system (STDS) software for the simulation of spherical top spectra
Ch. Wenger,Jean-Paul Champion +1 more