TITLE

Application of the shifted large-N method to the rovibrational spectroscopy of diatomic molecules

AUTHOR(S)
Bag, M.; Panja, M. M.; Dutt, R.; Varshni, Y. P.
PUB. DATE
July 1991
SOURCE
Journal of Chemical Physics;7/15/1991, Vol. 95 Issue 2, p1139
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Computations of energy levels, expectation values of various powers of internuclear separation, and Franck–Condon factors for molecular potentials have been carried out within the framework of shifted large-N technique. In contrast to other perturbative as well as semiclassical calculations, we obtain compact analytic expressions for these quantities. For illustration, our predicted results for perturbed Kratzer potential are compared with those derived by numerical integration. The method gives quite accurate results for a wide range of rovibrational quantum numbers. Further possible applications, in particular, to Morse oscillators are finally discussed.
ACCESSION #
7639401

 

Related Articles

  • DETERMINACION DE LOS PARAMETROS MOLECULARES Y TERMODINAMICOS DE UN GAS A PARTIR SU ESPECTRO. Raba P., Angela M.; Poveda C., F. Jackson; Poveda T., Nicanor // Revista Colombiana de Física;2006, Vol. 38 Issue 1, p429 

    The spectroscopy has come be converted in one of the most important techniques for the detonation of the molecular structure. In this work by means of a computational simulation from the experimental spectrum obtained of a gas (formed by diatomic molecules). the molecular and thermodynamic...

  • Tunneling spectra at terrace boundaries on the bismuth surface. Edelman, V. S. // Journal of Experimental & Theoretical Physics;Aug2008, Vol. 107 Issue 2, p251 

    The scanning tunneling spectra of the trigonal bismuth surface are measured in the vicinity of the boundaries of terraces with a diatomic height. It is found that the tunneling spectrum of the planar surface begins to transform at a distance of 2�3 nm from the terrace boundaries, specific...

  • IDENTIFICATION OF BERYLLIUM HYDRIDE ISOTOPOMER LINES IN SUNSPOT UMBRAL SPECTRA. Shanmugavel, R.; Bagare, S. P.; Rajamanickam, N.; Kumar, K. Balachandra // Serbian Astronomical Journal;2008, Issue 176, p51 

    A high resolution spectrum of FTS sunspot umbra of NSO/Kitt Peak was used to conduct a search for the molecular absorption lines due to BeH, BeD and BeT isotopomers. Analysis led to estimates of identification of the molecular lines of bands A - X (0,0), (1,1) and (2,2) for BeH, A - X (0,0),...

  • A vibrational dynamics of molecule chain on metallic surface. Zerirgui, D.; Tigrine, R.; Bourahla, B.; Khater, A. // European Physical Journal - Applied Physics;Feb2012, Vol. 57 Issue 2, pN.PAG 

    We investigate the vibration properties of adsorbed nanostructure on the infinite square crystalline surface. The surface is considered as an infinite slab of one atomic layer, and the nanostructure as an isolated diatomic molecule chain on the surface of a cubic lattice which is parallel to...

  • A new four-parameter empirical potential energy function for diatomic molecules. Rafi, M.; Al-Tuwirqi, Reem; Farhan, Hanaa; Khan, I. A. // Pramana: Journal of Physics;Jun2007, Vol. 68 Issue 6, p959 

    A new empirical four-parameter function is proposed for the construction of potential curves of 15 stable states of diatomic molecules. The parameters are evaluated in terms of experimentally known spectroscopic constants. On comparing its performance with other functions, the proposed function...

  • Calculation and interpretation of the vibronic spectra of pyridine and trans-1,2-di(2′-pyridyl)ethylene in the second approximation of the parametric method. Baranov, V. I.; Solov'ev, A. N. // Optics & Spectroscopy;Mar2008, Vol. 104 Issue 3, p309 

    The structures of pyridine and dipyridylethylene molecules in an excited state and their vibronic spectra are calculated within the second approximation of the parametric method. The system of parameters obtained, including parameters of the σ and π types, ensures a quantitative agreement...

  • Resonant two-photon ionization spectroscopy of jet-cooled tantalum carbide, TaC. Krechkivska, Olha; Morse, Michael D. // Journal of Chemical Physics;8/7/2010, Vol. 133 Issue 5, p054309 

    The optical spectrum of diatomic TaC has been investigated for the first time, with transitions recorded in the range from 17 850 to 20 000 cm-1. Six bands were rotationally resolved and analyzed to obtain ground and excited state parameters, including band origins, upper and lower state...

  • Ab initio investigation of the ground and low-lying states of the diatomic fluorides TiF, VF, CrF, and MnF. Koukounas, Constantine; Kardahakis, Stavros; Mavridis, Aristides // Journal of Chemical Physics;6/22/2004, Vol. 120 Issue 24, p11500 

    The electronic structure of the ground and low-lying states of the diatomic fluorides TiF, VF, CrF, and MnF was examined by multireference and coupled cluster methods in conjunction with extended basis sets. For a total of 34 states we report binding energies, spectroscopic constants, dipole...

  • Modified â„“-states of diatomic molecules subject to central potentials plus an angle-dependent potential. Berkdemir, Cüneyt; Sever, Ramazan // Journal of Mathematical Chemistry;Nov2009, Vol. 46 Issue 4, p1122 

    We present modified ℓ-states of diatomic molecules by solving the radial and angle-dependent parts of the Schrödinger equation for central potentials, such as Morse and Kratzer, plus an exactly solvable angle-dependent potential V θ( θ)/ r2 within the framework of the...

Share

Read the Article

Courtesy of THE LIBRARY OF VIRGINIA

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics