Complete Line Shape for the Impact, Static, and the Intermediate Regions

1975 ◽  
Vol 53 (1) ◽  
pp. 84-92 ◽  
Author(s):  
R. P. Srivastava ◽  
H. R. Zaidi

Line shapes are calculated for the resonance broadening of an excited level through the dipole–dipole interaction. The calculations are based on two main approximations: (1) two body collisions and (2) straight classical path for the translational motion. The results are valid over the complete region extending from the impact to the static regimes. It is shown that, under suitable conditions, the incomplete collisions can give rise to (a) a splitting of the line at the center and (b) nonlinear density dependence of the line width.

2013 ◽  
Vol 91 (11) ◽  
pp. 879-895 ◽  
Author(s):  
A.D. May ◽  
W.-K. Liu ◽  
F.R.W. McCourt ◽  
R. Ciuryło ◽  
J. Sanchez-Fortún Stoker ◽  
...  

An overview of the binary collision impact theory of spectral line shapes has been given to provide a unified statistical mechanical approach to line-shape theory, laser theory, nonlinear optics, and transport phenomena in dilute gases. The computation of spectral line profiles corresponding to those obtained from ultra-high-resolution spectral line-shape measurements requires numerical ab initio calculation of scattering amplitudes directly from the underlying dynamics of collisions between radiatively active molecules and their perturbers. The Wigner distribution function–density matrix is utilized to describe the kinetic theory of spectral line shapes and to discuss the various collisional processes that contribute to the kernel of kinetic equations. The influence of features of the potential energy surface on spectral parameters is also discussed, and the importance of comparing experimental line profiles directly with numerically computed line shapes obtained from reliable interaction potentials is emphasized. This contrasts sharply with the universal practice of comparing experimental line widths and shifts using some average or approximate theoretical scattering cross-sections and it contrasts sharply with fitting experimental profiles to some convenient analytical line-shape model; hence the phrase “a paradigm shift” in the title of this work.


1979 ◽  
Vol 34 (12) ◽  
pp. 1385-1397 ◽  
Author(s):  
Joachim Seidel

Abstract The “classical path theory” for the plasma broadening of hydrogen lines calls for a closer examination of the influence of radiator motion on Stark profiles. For a radiator with constant velocity Stark broadening is effected by an anisotropic plasma, and in a frame of reference moving with the emitter the line shape depends not only on the radiator speed but on the direction of emission as well. From this, a somewhat intricate correlation of Stark and Doppler broadening arises which has to be taken into account in the calculation of the full line profile. As an example, broadening by plasma ions is investigated in the impact limit where a distinct dependence of Stark broadening on the emitter velocity is found especially for very heavy, immovable ions.


1972 ◽  
Vol 50 (22) ◽  
pp. 2792-2800 ◽  
Author(s):  
H. R. Zaidi

The problem of collisional narrowing and broadening of spectral line shape in a gas is considered from the point of view of propagator technique of the many body theory. The case in which the radiator and perturbers are of different species is considered in this paper. In the impact limit, the propagator equations reduce to a form which is a generalization of the classical equations used in the previous theories. The line shapes resulting from the two approaches are compared and possible generalizations are discussed.


1975 ◽  
Vol 53 (1) ◽  
pp. 76-83 ◽  
Author(s):  
H. R. Zaidi

Theoretical expressions are derived for the complete line shape in resonance broadening using two independent methods, viz. (a) propagator techniques, (b) kinetic theory techniques. These expressions are valid for any duration of collision in the binary collision regime, and reduce to the impact (static) limit results when the average duration of collision is small (large). The expressions involve the Fourier transform of the two body collision operator and, therefore, these are quite suitable for actual numerical calculations.


2002 ◽  
Vol 715 ◽  
Author(s):  
T. Su ◽  
Robin Plachy ◽  
P. C. Taylor ◽  
S. Stone ◽  
G. Ganguly ◽  
...  

AbstractWe study the H NMR line shapes of a sample of a-Si:H under several conditions: 1) as grown, 2) light-soaked for 600 hours, and 3) light-soaked followed by annealing at different temperatures. At T = 7 K, the NMR line shape of the sample after light soaking exhibits an additional doublet compared to that of the sample as-grown. This doublet is an indication of a closely separated hydrogen pair. The distance between the two hydrogen atoms is estimated to be about (2.3 ± 0.2) Å. The concentration of these hydrogen sites is estimated to be between 1017 and 1018 cm-3 consistent with ESR measurements of the defect density after light soaking. This doublet disappears after the sample is annealed at 200°C for 4 hours.


2004 ◽  
Vol 76 (1) ◽  
pp. 147-155 ◽  
Author(s):  
M. Musso ◽  
F. Matthai ◽  
D. Keutel ◽  
K.-L. Oehme

Isotropic Raman line shapes of simple molecular fluids exhibit critical line broadening near their respective liquid-gas critical points. In order to observe this phenomenon, it is essential that the band position of a given vibrational mode is density-dependent, and that vibrational depopulation processes negligibly contribute to line broadening. Special attention was given to the fact that the isotropic (i.e., nonrotationally broadened) line shape of liquid N2 is affected by resonant intermolecular vibrational interactions between identical oscillators. By means of the well-chosen isotopic mixture (14N2).975 - (14N15N).025, the temperature and density dependences of shift, width, and asymmetry of the resonantly coupled 14N2 and, depending on the S/N ratio available, of the resonantly uncoupled 14N15N were determined, with up to milli-Kelvin resolution, in the coexisting liquid and gas phases and along the critical isochore, using a highest-resolution double monochromator and modern charge-coupled device detection techniques. Clear evidence was found that vibrational resonance couplings are present in all dense phases studied.


Universe ◽  
2021 ◽  
Vol 7 (6) ◽  
pp. 176
Author(s):  
Valery Astapenko ◽  
Andrei Letunov ◽  
Valery Lisitsa

The effect of plasma Coulomb microfied dynamics on spectral line shapes is under consideration. The analytical solution of the problem is unachievable with famous Chandrasekhar–Von-Neumann results up to the present time. The alternative methods are connected with modeling of a real ion Coulomb field dynamics by approximate models. One of the most accurate theories of ions dynamics effect on line shapes in plasmas is the Frequency Fluctuation Model (FFM) tested by the comparison with plasma microfield numerical simulations. The goal of the present paper is to make a detailed comparison of the FFM results with analytical ones for the linear and quadratic Stark effects in different limiting cases. The main problem is connected with perturbation additions laws known to be vector for small particle velocities (static line shapes) and scalar for large velocities (the impact limit). The general solutions for line shapes known in the frame of scalar perturbation additions are used to test the FFM procedure. The difference between “scalar” and “vector” models is demonstrated both for linear and quadratic Stark effects. It is shown that correct transition from static to impact limits for linear Stark-effect needs in account of the dependence of electric field jumping frequency in FFM on the field strengths. However, the constant jumping frequency is quite satisfactory for description of the quadratic Stark-effect. The detailed numerical comparison for spectral line shapes in the frame of both scalar and vector perturbation additions with and without jumping frequency field dependence for the linear and quadratic Stark effects is presented.


1979 ◽  
Vol 57 (6) ◽  
pp. 838-840
Author(s):  
F. M. Kelly ◽  
M. S. Mathur

The Hanle effect in the 3s2 1S0–3s4p1P1 (2026 Å) transition of Mg I has been studied over a range of densities. The low density observations lead to an accurate lifetime measurement of the 4p1P1 excited level. Related oscillator strengths are calculated.


Author(s):  
N. H. Ngo ◽  
H. Tran ◽  
R. R. Gamache ◽  
J. M. Hartmann

A short overview of recent results on the effects of pressure (collisions) regarding the shape of isolated infrared lines of water vapour is presented. The first part of this study considers the basic collisional quantities, which are the pressure-broadening and -shifting coefficients, central parameters of the Lorentzian (and Voigt) profile and thus of any sophisticated line-shape model. Through comparisons of measured values with semi-classical calculations, the influences of the molecular states (both rotational and vibrational) involved and of the temperature are analysed. This shows the relatively unusual behaviour of H 2 O broadening, with evidence of a significant vibrational dependence and the fact that the broadening coefficient (in cm −1 atm −1 ) of some lines increases with temperature. In the second part of this study, line shapes beyond the Voigt model are considered, thus now taking ‘velocity effects’ into account. These include both the influence of collisionally induced velocity changes that lead to the so-called Dicke narrowing and the influence of the dependence of collisional parameters on the speed of the radiating molecule. Experimental evidence of deviations from the Voigt shape is presented and analysed. The interest of classical molecular dynamics simulations, to model velocity changes, together with semi-classical calculations of the speed-dependent collisional parameters for line-shape predictions from ‘first principles’, are discussed.


1976 ◽  
Vol 31 (6) ◽  
pp. 730-736 ◽  
Author(s):  
R. Rottler ◽  
C. G. Kreiter ◽  
G. Fink

The 13C NMR spectra of the ethylaluminium compounds [Al(C2H5)xCl3_x]2 x = 1, 1,5, 2 and 3 are presented and factors governing the temperature dependence of the line shape are discussed. The exchange reaction of terminal ethyl groups for chlorine ligands and ethyl ligands, resp., in ethylaluminium-sesquichloride was investigated by fitting the calculated line shapes to the observed spectra.The energy of activation of this exchange process was determined as to be 12,3 ‡ 1,5 kcal/mole. The synthesis of 13C2-[Al(C2H5)Cl2]2 is described.


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