Energy transfer in classical collinear and perpendicular central collisions of a structureless atom with a morse oscillator

Faubel, Manfred; Toennies, J. P.

doi:10.1016/0301-0104(74)80046-7

Cited by 23 publications

(5 citation statements)

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“…The anisotropy of the molecule is determined by the equilibrium internuclear separation r e and the steepness parameter α through the two-body potential and is not an independently adjustable parameter. This model is very similar to that used by Faubel and Toennies . The two constants V 0 (2000 cm −1 ) and α (1.5 Å −1 ) were adjusted by hand to give the best overall agreement with the vibrationally inelastic experimental results.…”

Section: Comparison Of Experiments and Computationmentioning

confidence: 99%

“…This model is very similar to that used by Faubel and Toennies. 6 The two constants V 0 (2000 cm -1 ) and R (1.5 Å -1 ) were adjusted by hand to give the best overall agreement with the vibrationally inelastic experimental results.…”

Section: Origin Of the Structures In The Crossmentioning

confidence: 99%

“…Schwartz and Herzfeld, 5 for example, used a "breathing sphere" isotropic model but suggested correcting it with a steric factor of 1/3 to account for orientation. Faubel and Toennies 6 studied a model that included a Morse diatomic oscillator and exponential repulsion between both atoms of the diatomic and the incoming perturber, finding that for most energies a C 2V sideways approach was more effective in causing vibrational transitions than a collinear one. They were interested in backscattering experiments, so their study included only zero impact parameters, and rotational excitation was not considered.…”

Section: Introductionmentioning

confidence: 99%

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Rovibrational Energy Transfer in Ne−Li₂(A¹Σ_u⁺,v=0): Comparison of Experimental Data and Results from Classical and Quantum Calculations

et al. 2010

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Absolute rate constants for rotational and rovibrational energy transfer in the system Ne-Li2(A1Sigmau+) were measured by a dispersed fluorescence technique following excitation of the (v = 0,j = 18) initial level of Li2(A1Sigmau+). The rate coefficients for Deltav = 0 processes decline monotonically with increasing |Deltaj|. The Deltav = 1 rate coefficients are also peaked near Deltaj = 0 but show a broad shoulder extending to approximately Deltaj = 30. Classical trajectory calculations and accurate quantum mechanical close-coupled calculations were used to compute theoretical rate constants from an ab initio potential surface. The agreement between the classical and quantum calculations is very good. The calculations slightly overestimate the measured rate constants for Deltav = 0, Deltaj or= 20, implying that the anisotropy of the ab initio surface is too small at short range and too large at long range. For Deltav = 1 collisions, the calculations agree well with experiment for Deltaj 0 collisions, disagreeing with experiment by a factor of 2 for Deltaj approximately 20 but agreeing better at higher and lower Deltaj. Analysis of classical trajectories indicates that the vibrationally inelastic collisions fall into two groups corresponding to equatorial and near-end impacts; the former generally produce small Deltaj while the latter produce large Deltaj. Studies of a simple model potential show that this dual mechanism may be a general phenomenon not limited to the particular potential surface employed here. Criteria controlling the relative importance of the two vibrational excitation routes are enumerated.

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Section: Comparison Of Experiments and Computationmentioning

confidence: 99%

Section: Origin Of the Structures In The Crossmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Rovibrational Energy Transfer in Ne−Li₂(A¹Σ_u⁺,v=0): Comparison of Experimental Data and Results from Classical and Quantum Calculations

et al. 2010

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“…At collision energies which are not too low the spectator model has proved to be successful: the collision between the atom and the molecule takes place in such a way that the impinging atom 3 either interacts only with atom 1 or with atom 2, while the other (non-struck) atom remains completely undisturbed by this binary encounter (Gillen et a1 1973a, b, Schottler andToennies 1974). The binding of the molecule is taken into account only so far as it yields a momentum distribution for the relative motion of the two target atoms.…”

Section: P Eckelt and H J Korschmentioning

confidence: 99%

“…In general, the potential hypersurface of the system is unknown and an exact quantum-mechanical treatment of the collision process is not feasible in practice (particularly as a consequence of the continuum states, which arise in break-up collisions). Therefore, one is dependent on model potentials and on approximate ideas of the collision mechanism: collinear collision models in classical (Fan 1971), semi-classical (Johnson and Roberts 1970, Lin 1974), quantummechanical distorted-wave Born (Lin 1972) or impulse approximation (Eckelt and Korsch 1973); three-dimensional calculations in the framework of classical mechanics (Baudon 1973, Faubel and Toennies 1974, North et al 1974, semi-classical (Brown and Munn 1972), quantum-mechanical high energy (Garbarino and Wartell 1974) or statistical (Moran and Fullerton 1971, Rebick and Levine 1973) theories; see also the review by McClure and Peek (1972). …”

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confidence: 99%

On Dimension Theory for Complexes

Ivanov¹

1980

Math. USSR Sb.

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Gryzinski's impulse model is applied to the dissociative collision of an atom with a diatomic molecule. The twofold differential cross section d'dd cos 3 dAE. where 3 is the scattering angle of the atom and AAE the energy transfer to the molecule, is given by a simple integral over binary encounter cross sections for scattering of the projectile atom by only one of the target atoms. Complete contour maps, i.e. lines of constant d2u/d cos 9 dAE values in AE(3) polar diagrams, are calculated for the systems Dz + 0' and HD +-0' at collision energies of 25 eV and 39.3 eV, respectively (in the centre-of-mass system). Comparison is made with corresponding experimental results. 1973, 1974). A theoretical description of such 'energy-loss spectra' is connected with considerable difficulties. In general, the potential hypersurface of the system is unknown and an exact quantum-mechanical treatment of the collision process is not feasible in practice (particularly as a consequence of the continuum states, which arise in break-up collisions). Therefore, one is dependent on model potentials and on approximate ideas of the collision mechanism: collinear collision models in classical (Fan 1971), semi-classical (Johnson and Roberts 1970, Lin 1974), quantummechanical distorted-wave Born (Lin 1972) or impulse approximation (Eckelt and Korsch 1973); three-dimensional calculations in the framework of classical mechanics (Baudon 1973, Faubel and Toennies 1974, North et al 1974, semi-classical (Brown and Munn 1972), quantum-mechanical high energy (Garbarino and Wartell 1974) or statistical (Moran and Fullerton 1971, Rebick and Levine 1973) theories; see also the review by McClure and Peek (1972). P Eckelt and H J KorschAt collision energies which are not too low the spectator model has proved to be successful: the collision between the atom and the molecule takes place in such a way that the impinging atom 3 either interacts only with atom 1 or with atom 2, while the other (non-struck) atom remains completely undisturbed by this binary encounter (Gillen et a1 1973a, b, Schottler andToennies 1974). The binding of the molecule is taken into account only so far as it yields a momentum distribution for the relative motion of the two target atoms. A quantum-mechanical formulation of this so-called 'impulse approximation' (IA) can be found in an earlier paper of the authors (Eckelt et a1 1974). In the present work the IA will be formulated mainlj in the frame of classical mechanics, which seems to be justifed by the short de Broglie wavelengths connected with the high energetic movement of heavy particles. For reviews on quantum-mechanical and classical IA theories see also Coleman ( 1969) and Vriens (1969), respectively.A detailed classical version of the IA was first given by Gryzinski (1965a, b, c). Apart from a different physical questioning the present work differs from Gryzinski's work in two respects: a three-particle system is considered with three finite and.in general, different masses n i l , ni, and m3 (instead of m I = m, a...

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Vibrational Excitation II: Classical and Semiclassical Methods

Gentry

1979

Atom - Molecule Collision Theory

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Energy transfer in classical collinear and perpendicular central collisions of a structureless atom with a morse oscillator

Cited by 23 publications

References 20 publications

Rovibrational Energy Transfer in Ne−Li₂(A¹Σ_u⁺,v=0): Comparison of Experimental Data and Results from Classical and Quantum Calculations

Rovibrational Energy Transfer in Ne−Li₂(A¹Σ_u⁺,v=0): Comparison of Experimental Data and Results from Classical and Quantum Calculations

On Dimension Theory for Complexes

Vibrational Excitation II: Classical and Semiclassical Methods

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Energy transfer in classical collinear and perpendicular central collisions of a structureless atom with a morse oscillator

Cited by 23 publications

References 20 publications

Rovibrational Energy Transfer in Ne−Li2(A1Σu+,v=0): Comparison of Experimental Data and Results from Classical and Quantum Calculations

Rovibrational Energy Transfer in Ne−Li2(A1Σu+,v=0): Comparison of Experimental Data and Results from Classical and Quantum Calculations

On Dimension Theory for Complexes

Vibrational Excitation II: Classical and Semiclassical Methods

Contact Info

Product

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Rovibrational Energy Transfer in Ne−Li₂(A¹Σ_u⁺,v=0): Comparison of Experimental Data and Results from Classical and Quantum Calculations

Rovibrational Energy Transfer in Ne−Li₂(A¹Σ_u⁺,v=0): Comparison of Experimental Data and Results from Classical and Quantum Calculations