Thermal-energy atom-molecule collisions

Burke, P G; Scrutton, D; Tait, J.H.; Taylor, Antoinette

doi:10.1088/0022-3700/2/11/305

Cited by 47 publications

(17 citation statements)

References 10 publications

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“…The dependence of the rotational excitation cross sections on different aspects viz., change of angular momentum (A j), amount of the energy to be transferred (AE), initial (j) and final ( j ' ) rotor states etc., as pointed out earlier have not been analysed adequately. The resonances in the elastic scattering ( 0 -0) and 0 -2 rotational excitation cross sections as reported by Burke et al [1] differ considerably from those reported by Bosanac et al [5] in respect of their number and position. The threshold behaviour of the cross section curve has not been discussed.…”

Section: Inroducfionmentioning

confidence: 54%

“…The authors pointed out some discrepancies and errors in the earlier CC calculations by Burke et al [ 1 ]. The resonances reported by Burke et al [1] were not reproduced by Bosanac et at. [5].…”

Section: Inroducfionmentioning

confidence: 88%

“…They also calculated these cross sections using the exact close coupling method based on the formulation of Gordon et al [6]. The authors pointed out some discrepancies and errors in the earlier CC calculations by Burke et al [ 1 ]. The resonances reported by Burke et al [1] were not reproduced by Bosanac et at.…”

Section: Inroducfionmentioning

confidence: 99%

“…The study of Ne -N 2 collision in the thermal energy region was first of all attempted by Burke et al [1] using the close coupling formalism of Arthurs and Dalgarno [2]. They restricted their discussions only to the lower energy region, in particular, the resonances appearing in the elastic scattering and the 0-2 rotational excitation cross sections.…”

Section: Inroducfionmentioning

confidence: 99%

See 3 more Smart Citations

Scattering of neon atom by nitrogen molecule at thermal and subthermal energies

Tiwari¹,

Pandey

Tripathi

1993

Z Phys D - Atoms, Molecules and Clusters

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Abstract.Collision of Ne atom with N 2 molecule in the thermal and subthermal energy regions (0.01-260 meV) has been thoroughly investigated. Centrifugally decoupled exponential distorted wave (CDEDW) method and the BSTT interaction potential have been used to calculate elastic as well as inelastic (rotational) scattering cross sections. The resonances in the very low energy region, R -Tenergy transfer mechanisms and nature of the rotational excitation cross sections near the threshold have been examined very critically. In general CDEDW method has been found to work quite well in this energy region.

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Section: Inroducfionmentioning

confidence: 54%

Section: Inroducfionmentioning

confidence: 88%

Section: Inroducfionmentioning

confidence: 99%

Section: Inroducfionmentioning

confidence: 99%

See 2 more Smart Citations

Scattering of neon atom by nitrogen molecule at thermal and subthermal energies

Tiwari¹,

Pandey

Tripathi

1993

Z Phys D - Atoms, Molecules and Clusters

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“…These states may arise from the tunneling from the centrifugal barrier and from excitation of N 2 to an asymptotically closed channel where N 2 becomes temporarily trapped in one of the bound states of the potential well. [28][29][30] Compared to the depth of the potential well, the energy spacing of the N 2 rotational structure is small, so that both types of quasi-bound states occur in the same energy range. Although the resonances are still present for the initial rotational levels In addition to the resonance structure for energies below 80 cm −1 , the elastic cross sections present undulations as a function of the kinetic energy.…”

Section: B Cross Sectionsmentioning

confidence: 99%

Scattering of nitrogen molecules by silver atoms

Loreau

Zhang

Dalgarno

2012

The Journal of Chemical Physics

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We present a quantal study of the rotationally elastic and inelastic scattering of Ag and N 2 , with the nitrogen molecule treated as a rigid rotor. The two-dimensional potential energy surface of the AgN 2 complex is obtained ab initio by means of the spin unrestricted coupled-cluster method with single, double, and perturbative triple excitations. The global minimum is found to be located at an internuclear distance of 8.13 a 0 and an angle of 127.2• . The long-range part of the potential is constructed from the dynamic electric dipole polarizabilities of Ag and N 2 . Elastic, excitation, and relaxation cross sections and rates are calculated for energies between 0.1 and 5000 cm −1 . The momentum transfer cross sections and rates are also computed. Finally, we compare the cross sections for Ag-N 2 and Na-N 2 to explore the possibility of using silver instead of sodium in experimental tests.

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Vibrationally inelastic scattering and relaxation times in gaseous HF

Gianturco¹,

Lamanna

Battaglia³

1981

Int J of Quantum Chemistry

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AbstractsA numerical fit to computed ab initio points of the HF-HF potential energy surface is here employed in its simplest spherical form to solve the corresponding close-coupling equations that yield vibrationally inelastic collision cross sections for the V / T process in the gas phase. The existence of a deep potential well in the interaction is examined here for its effect on near-threshold cross section behavior and evidence is found, through the present calculations, for the relative importance of several (orbiting) shape resonances that contribute to the Ql,o cross sections at low collision energies (50.4 eV). The bearing of such lengthened interaction times on the corresponding low temperature relaxation times is shown in the ensuing calculation of p~ in the T range between 300 and 4000 K. In spite of the simplicity of the present model, quite good agreement is in fact found with experiments in the low-T region, while the lack of V , R / T coupling explains the departure of the computed p~, above 1000 K, from the experimental findings.Une adaptation numerique aux points d'une surface de potentiel HF-HF calcults ab initio est utilisie dans sa forme spherique la plus simple pour resoudre les equations de couplage fort correspondantes, qui fournissent des sections efficaces intlastiques du point de vue des vibrations pour le processus V / T dans la phase gazeuse. L'existance d'un puits de potentiel profond dans I'interaction est examinee du point de vue de son effet pour le comportement de la section efficace prks du seuil. Nos calculs dtmonstrent I'importance relative de plusieurs resonances de forme qui contribuent aux sections efficaces Ql,a ii des energies de collision basses (50.4eV). L'influence de ces temps d'interaction prolongis sur les temps de relaxation correspondants pour les basses temperatures est demontrte dans un calcul de pr pour T entre 300 et 400 K. Malgrt la simplicit6 du modde on trouve un accord assez bon avec les donntes experimentales pour les basses temperatures. D'autre part I'absence de couplage V , R / T explique la difference entre les valeurs de PT calcultes au-dessus de 1000 K et les valeurs exptkimentales.Eine numerische Anpassung zu ab-initio-berechneten Punkten auf einer HF-HF-Potentialenergieobedache wird in ihrer einfachsten spharischen Form benutzt, urn die entsprechenden Gleichungen fur starke Kopplung zu losen, die inelastische Schwingungsquerschnitte fur das V/ T-Prozess in der Gasphase liefern. Die Existenz eines tiefen Potentialtopfes in der Wechselwirkung wird mit Riicksicht auf seinen Effekt auf das Verhalten des Querschnitts in der Nahe der Schwelle untersucht. Unsere Berechnungen zeigen die relative Bedeutung von mehreren "Shape"-Resonanzen, die zu den Ql

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Thermal-energy atom-molecule collisions

Cited by 47 publications

References 10 publications

Scattering of neon atom by nitrogen molecule at thermal and subthermal energies

Scattering of neon atom by nitrogen molecule at thermal and subthermal energies

Scattering of nitrogen molecules by silver atoms

Vibrationally inelastic scattering and relaxation times in gaseous HF

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