A comparison of approaches for reduction of vibration-rotational spectra of NaCl X 1Σ+ to parameters of radial functions

Autor:	J.F. Ogilvie, Marcin Molski
Rok vydání:	1999
Předmět:	Chemistry Function (mathematics) Atomic and Molecular Physics and Optics Spectral line Analytical Chemistry Vibration Moment (mathematics) Dipole Perturbation theory Atomic physics Ground state Reduction (mathematics) Instrumentation Spectroscopy
Zdroj:	Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 55:1427-1437
ISSN:	1386-1425
DOI:	10.1016/s1386-1425(98)00313-8
Popis:	We compare applications of a deformationally self-consistent procedure and of hypervirial perturbation theory, as embodied in a computer programme Radiatom, to spectral data of 23 Na 35 Cl and 23 Na 37 Cl in the electronic ground state X 1 Scomprising 1210 vibration‐rotational transitions. From a marginally evaluated value of a parameter related to nonadiabatic rotational effects we predict rough values of electric dipolar moment and rotational g-factor; the former is near a known experimental value. Comparison is also made with values transformed from results obtained with a potential-energy function of exponential form. © 1999 Elsevier Science B.V. All rights reserved.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::f5ecccb404210a9e58b7d620b211b152 https://doi.org/10.1016/s1386-1425(98)00313-8 Zobrazit plný text záznamu Full Text from ScienceDirect