Published September 2007 | Version v1
Journal article

Quantum-mechanical vs. semi-classical spectral-line widths and shifts from the line core in the non-impact region for the Ar-perturbed/ K-radiator system

Creators

  • 1. Research and Instructional Computer Center and the Chemistry Department, Wright State University, Dayton, OH 45435 (United States)

Description

New quantum-mechanical (QM) and semi-classical (SC) shifts (d's) and widths (HWHM's, w's) were measured from the line core of computed full spectral-line shapes for the Ar-perturbed/K-radiator system (K/Ar). The initial state of our model was based on a 4p 2 P 3/2,1/2 pseudo-potential for the K/Ar system, and the final state on a zero potential. The Fourier transform of the line shape formed the basis for the computations. Excellent agreement was found between the QM and SC values of d and of w in a high-pressure (P) non-impact region, which was characterized by a √P dependence of w and a P dependence of d. These agreements were shown to be another example of a correspondence between classical (SC) quantities and QM quantities in the limit of large quantum numbers. Typically at P=1x106 Torr and T=400 K, wQM=448 cm-1 and wSC =479 cm-1, where the deviation from the mean is ±3.3%. Also, dQM =-3815 cm-1 and dSC =-3716 cm-1, where the deviation from the mean is ±1.3%. A new general method was formulated which yielded a definite pressure P 0, which was defined as an upper limit to the low-pressure impact approximation and a lower limit to the non-impact region

Additional details

Identifiers

DOI
10.1016/j.jqsrt.2007.01.044;
PII
S0022-4073(07)00067-2;

Publishing Information

Journal Title
Journal of Quantitative Spectroscopy and Radiative Transfer
Journal Volume
107
Journal Issue
1
Journal Page Range
p. 154-163
ISSN
0022-4073
CODEN
JQSRAE

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
39036955
Subject category
S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Descriptors DEI
APPROXIMATIONS; FOURIER TRANSFORMATION; LINE WIDTHS; POTENTIALS; QUANTUM MECHANICS; QUANTUM NUMBERS; SHAPE; SPECTRA; WIDTH
Descriptors DEC
CALCULATION METHODS; DIMENSIONS; INTEGRAL TRANSFORMATIONS; MECHANICS; TRANSFORMATIONS

Optional Information

Copyright
Copyright (c) 2007 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.