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At least 289 records · Page 16

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NASA NTRS1974

The role of higher-multipolar and repulsive forces in the calculation of collision-broadened line-widths of linear molecules

Collision-broadened line widths in CO-CO2 and CO-O2 collisions have been calculated by incorporating interactions due to octopoles and hexadecapoles and short-range repulsive interactions into Anderson's (1949) theory. It is shown how these higher-order interactions can be manipulated to yield good agreement with experimental data. A critical evaluation of this totally empirical manipulation suggests that a thorough revision of the theory is required for all but simple dipole-dipole interactions. In the process of the evaluation, the values of the multipole moments are discussed.

Varanasi, P.↗

NASA NTRS1975

Asymptotic form of the charge exchange cross section in the three body rearrangement collisions

A three body general rearrangement collision is considered where the initial and final bound states are described by the hydrogen-like wave functions. Mathematical models are developed to establish the relationships of quantum number, the reduced mass, and the nuclear charge of the final state. It is shown that for the low lying levels, the reciprocal of n cubed scaling law at all incident energies is only approximately satisfied. The case of the symmetric collisions is considered and it is shown that for high n and high incident energy, E, the cross section behaves as the reciprocal of E cubed. Zeros and minima in the differential cross sections in the limit of high n for protons on atomic hydrogen and positrons on atomic hydrogen are given.

Omidvar, K.↗

NASA NTRS1974

Semiclassical S-matrix theory of vibrationally inelastic collisions between two diatomic molecules

We derive a semiclassical S matrix for vibrationally inelastic collisions between two diatomic molecules, assuming a collinear geometry. Our theory incorporates a quantum mechanical superposition principle with classical dynamics and, as such, is an extension of the atom-diatomic molecule theory of Miller. The several approximations to the S matrix differ in the complexity with which the interference between various classical trajectories is treated. We report numerical calculations for H2-D2 and D2-D2 collisions based on two different interaction potentials. The cruder approximations yield transition probabilities which agree with exact quantum mechanical results to within a factor of 2. More sophisticated approximations to the S matrix yield excellent quantitative agreement with the quantum calculations.

Cohen, S. C.↗

NASA NTRS1974

Inelastic scattering in atom-diatomic molecule collisions. I - Rotational transitions in the sudden approximation

The impact parameter method and the sudden approximation are applied to determine the total probability of inelastic rotational transitions arising from a collision of an atom and a homonuclear diatomic molecule at large impact parameters. An analytical approximation to this probability is found for conditions where the electron exchange or overlap forces dominate the scattering. An approximate upper bound to the range of impact parameters for which rotational scattering can be important is determined. In addition, an estimate of the total inelastic cross section is found at conditions for which a statistical model describes the scattering well. The results of this analysis are applied to Ar-O2 collisions and may be readily applied to other combinations of atoms and molecules.

Stallcop, J. R.↗

NASA NTRS1975

Rotational excitation in H2-H2 collisions - Close-coupling calculations

Rotational excitation in molecule-molecule collisions has been treated for the first time by accurate quantum close-coupling scattering calculations, employing an expansion basis set of two to three rotational levels for each molecule and correctly accounting for exchange of identical particles. Elastic and inelastic cross sections have been computed for collisions of para-para, ortho-ortho, and para-ortho hydrogen molecules assuming an intermolecular potential suggested previously. The accuracy of recent 'effective potential' calculations is demonstrated by comparison with the exact quantum results.

Green, S.↗

NASA NTRS1975

Asymptotic form of the charge-exchange cross section in three-body rearrangement collisions

A three-body general-type rearrangement collision is considered in which the initial and final bound states are described by hydrogen-like wave functions. It is shown that the charge-exchange amplitude in the first Born approximation can be expanded at all incident energies in terms of the inverse powers of the principal quantum number (n). By expanding the exchange amplitude in this way, it is demonstrated conclusively that the cross section for capture into the s, p, and d states as well as for the sum over all the angular-momentum states is proportional to 1/n-cubed plus terms proportional to higher inverse odd powers of n. It is found that the low-lying levels cannot be scaled to the 1/n-cubed law irrespective of the value of the incident energy except in the case of capture into the s states in accordance with the Oppenheimer-Brinkman-Kramers approximation. Zeros and minima in the differential cross sections are given in the limit of high principal quantum number for electron capture by protons from atomic hydrogen and for positronium formation by proton-atomic hydrogen collisions.

Omidvar, K.↗

NASA NTRS1976

Rotational excitation of symmetric top molecules by collisions with atoms: Close coupling, coupled states, and effective potential calculations for NH3-He

The formalism for describing rotational excitation in collisions between symmetric top rigid rotors and spherical atoms is presented both within the accurate quantum close coupling framework and also the coupled states approximation of McGuire and Kouri and the effective potential approximation of Rabitz. Calculations are reported for thermal energy NH3-He collisions, treating NH3 as a rigid rotor and employing a uniform electron gas (Gordon-Kim) approximation for the intermolecular potential. Coupled states are found to be in nearly quantitative agreement with close coupling results while the effective potential method is found to be at least qualitatively correct. Modifications necessary to treat the inversion motion in NH3 are discussed.

Green, S.↗

NASA NTRS1975

Variation of transverse momentum in hadronic collisions

The paper presents a detailed parameterization of the transverse momentum in hadronic collisions on multiplicity and on beam momentum. Hadronic collisions are considered at energies below the ultra-high energy domain, on the basis of an uncertainty relation and a naive eikonal model with an impact-parameter-dependent multiplicity.

Saint Amand, J.↗

NASA NTRS1975

Calculation of rotational transition probabilities in molecular collisions - Application to N2 + N2

A computational method is proposed to obtain rotational transition probabilities in collisions between two diatomic molecules. The potential method of Rabitz and an exponential approximation are used to solve the semiclassical coupled equations without invoking any perturbational technique. The collision trajectory is determined in the classical modified-wave-number approximation. The method can treat systems involving strong interactions and provide probabilities for transitions even with a multiquantum jump. A simultaneous transition in the rotational states of both molecules, i.e., the rotational-rotational energy transfer, is taken into account. An application to the system N2 + N2 is presented.

Itikawa, Y.↗

NASA NTRS1976

Multiplicity dependence of transverse momentum in hadronic collisions

The process of secondary-particle emission in hadron-hadron collisions is analytically studied using a simple model of hadron structure. The model neglects the 'size' of the hadron constituents, considering a hadron as a continuous distribution of matter according to a step function of radius R. A version of the eikonal approximation is applied to derive the relative probability for interaction and emission of secondaries when the impact parameter b is smaller than 2R. On the basis of these assumptions, and using the uncertainty relation, an empirical parameterization is obtained for the dependence of the transverse momentum of charged secondaries on their multiplicity in the case of high-energy proton-proton collisions. Comparison with experimental data at 28 GeV/c yields agreement to within about 3%. The analysis shows that at a fixed beam momentum, the transverse momentum decreases with increasing multiplicity, and that for a given multiplicity, the transverse momentum exhibits a slow increase with beam momentum.

Saint Amand, J.↗

NASA NTRS1977

Rotational excitation in collisions between two rigid rotors - Alternate angular momentum coupling and pressure broadening of HCl by H2

In order to compute relaxation 'cross sections' for molecule-molecule collisions, it is convenient to employ a coupled angular-momentum representation which differs from that generally used. An explicit expression for collision-induced spectral pressure broadening in this representation is given, and this is used to examine the difference between para- and ortho-H2 for broadening of HCl.

Green, S.↗

NASA NTRS1977

Rotational excitation of linear molecules by collisions with atoms - Comparison of classical and quantum methods

Exact quantum results for the rotational excitation of rigid linear molecules by collisions with atoms are compared with classical trajectory results. The systems studied are CO-He, CS-H2, OCS-H2, HCl-He, and HCl-Ar at collision energies up to 500/cm. Total cross sections and state to state rate constants are compared. The classical results are found to be in good agreement with the quantum results on the average. Differences arising from the existence of purely quantum effects are clearly evident, but consistent and predictable. Two methods of extracting state selective information from moments of the classical distribution are examined and found to be less reliable than the usual histogram method. In conjunction with previous comparisons of classical and quantum results these calculations provide a useful measure of the limitations and reliability of classical trajectories.

Chapman, S.↗

NASA NTRS1977

Rotational and vibrational transitions for Li + H2 collisions

Close coupling calculations for integral and differential cross sections have been carried out for Li + H2 collisions with an ab initio Hartree-Fock potential energy surface. Rotational, vibrational, and vib-rotational excitation cross sections are reported at 0.4336 eV, 0.7 eV, and 0.8673 eV in the center of mass system. For pure rotational excitations, which dominate the inelastic scattering, coupling with vibrational states is not very important. For vibrational transitions, the influence of large multiquantum rotational transitions is far less than that found for Li(+) + H2 collisions.

Choi, B. H.↗

NASA NTRS1977

Line strengths, collision strengths and excitation rates for multiply-charged silicon ions

In the present paper, the line strengths, collision strengths, and rate coefficients are calculated for a variety of transitions in multiply charged silicon ions from Si(VI) to Si(XIV). The line strengths are obtained by using Clementi wave functions for the ground-state configuration, and excited-state wave functions generated by a semiempirical method. The collision strengths are calculated in an LS coupling scheme in the distorted-wave approximation, neglecting exchange except for the helium-like transitions. These results are then integrated over a Maxwellian velocity distribution function to yield rate coefficients. The rates are presented graphically and also in terms of a two-parameter fit.

Davis, J.↗

NASA NTRS1977

Pauli correlations in heavy-ion collisions at high energies

We calculate the effects of short-range correlations on the Glauber expansion for nucleus-nucleus collisions using the Fermi gas model for nuclei. When we neglect the Pauli principle for collisions between heavy nuclei, calculation of the optical phase-shift function leads to non-unitary results and we cannot obtain cross sections. When we include Pauli correlations we find important cancellations in the optical phase-shift function, which make possible the calculation of total and differential cross sections for heavy nuclei.

Franco, V.↗

NASA NTRS1978

Molecular collisions in a laser field - Effect of the laser linewidth

The effect of the laser linewidth on molecular collision processes taking place in a laser field is studied, using an approximation scheme that replaces the actual frequency distribution of the field by a finite number of frequencies and weights. The choice of the frequencies and weights is conveniently accomplished by the method of Gaussian quadrature. Close-coupling calculations are performed on model systems, and the results indicate that the neglect of the laser linewidth may be justified in most collision processes in a laser field.

Lee, H. W.↗

NASA NTRS1978

Is photon angular momentum important in molecular collision processes occurring in a laser field

The importance of the rigorous treatment of photon angular momentum in molecular-collision processes occurring in the presence of intense radiation is investigated. An alternate approximate treatment, which essentially neglects the angular momentum coupling between the photon and the molecular degrees of freedom by averaging over the angular dependence of the interaction matrix elements, is presented and applied to a model calculation. The degeneracy-averaged results of this calculation compare remarkably well with the results of a rigorous calculation, from which we conclude (with reservation) that the explicit consideration of photoangular momentum coupling in molecular-collision problems is unnecessary.

Devries, P. L.↗

NASA NTRS1979

Redistribution of scattered radiation by collisions in the nonimpact region of the spectral line profile

The scattering of radiation in the presence of collisions can be described quantum-mechanically in terms of essentially two processes. The first may be thought of as an absorption to the excited state followed subsequently (after propagating in the excited state) by emission. This gives rise to radiation redistributed about the transition frequency. The effects of m-degeneracy are particularly interesting for this first process. As an example a case is considered in which the incident frequency is in the quasi-static line wing, while the scattered frequency is close to the line center. It is found that under these circumstances the dominant contribution from this process in the scattered spectrum is obtained for an absorption of the incident frequency taking place during a strong (close) collision and reemission of the scattered frequency when the atom is essentially unperturbed

Cooper, J.↗