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Results for “Angular Momentum Quantum Number”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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26 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

State-selected chemical reaction dynamics at the S matrix level - Final-state specificities of near-threshold processes at low and high energies

State-to-state reaction probabilities are found to be highly final-state specific at state-selected threshold energies for the reactions O + H2 yield OH + H and H + H2 yield H2 + H. The study includes initial rotational states with quantum numbers 0-15, and the specificity is especially dramatic for the more highly rotationally excited reactants. The analysis is based on accurate quantum mechanical reactive scattering calculations. Final-state specificity is shown in general to increase with the rotational quantum number of the reactant diatom, and the trends are confirmed for both zero and nonzero values of the total angular momentum.

Chatfield, David C.↗
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 NTRS1993

Ab initio calculation of a global potential, vibrational energies, and wave functions for HCN/HNC, and a simulation of the (A-tilde)-(X-tilde) emission spectrum

A potential energy surface for the HCN/HNC system which is a fit to extensive, high-quality ab initio, coupled-cluster calculations is presented. All HCN and HNC states with energies below the energy of the first delocalized state are reported and characterized. Vibrational transition energies are compared with all available experimental data on HCN and HNC, including high CH-overtone states up to 23,063/cm. A simulation of the (A-tilde)-(X-tilde) stimulated emission pumping (SEP) spectrum is also reported, and the results are compared to experiment. Franck-Condon factors are reported for odd bending states of HCN, with one quantum of vibrational angular momentum, in order to compare with the recent assignment by Jonas et al. (1992), on the basis of axis-switching arguments of a number of previously unassigned states in the SEP spectrum.

Bowman, Joel M.↗
NASA NTRS1995

Coherent state constructions of bases for some physically relevant group chains

Rotor coherent state constructions are given for the Wigner supermultiplet SU(4) contains SU(2)xSU(2) and for the special irreducible representations (N0) of the SO(5) contains SO(3) contains SO(2) group chain in exact parallel with the rotor coherent state construction for the SU(3) contains SO(3) contains SO(2) case given by Rowe, LeBlanc,, and Repka. Matrix elements of the coherent state realizations of the group generators are given in all cases by very simple expressions in terms of angular momentum Wigner coefficients involving intrinsic projection labels K. The K-matrix technique of vector coherent state theory is used to effectively elevate these K labels to the status of good quantum numbers. Analytic expressions are given for the (K K*)-matrices for many of the more important irreducible representations.

Hecht, Karl T.↗
NASA NTRS1995

Exact, E = 0, classical and quantum solutions for general power-law oscillators

For zero energy, E = 0, we derive exact, classical and quantum solutions for all power-law oscillators with potentials V(r) = -gamma/r(exp nu), gamma greater than 0 and -infinity less than nu less than infinity. When the angular momentum is non-zero, these solutions lead to the classical orbits (p(t) = (cos mu(phi(t) - phi(sub 0)t))(exp 1/mu) with mu = nu/2 - 1 does not equal 0. For nu greater than 2, the orbits are bound and go through the origin. We calculate the periods and precessions of these bound orbits, and graph a number of specific examples. The unbound orbits are also discussed in detail. Quantum mechanically, this system is also exactly solvable. We find that when nu is greater than 2 the solutions are normalizable (bound), as in the classical case. Further, there are normalizable discrete, yet unbound, states. They correspond to unbound classical particles which reach infinity in a finite time. Finally, the number of space dimensions of the system can determine whether or not an E = 0 state is bound. These and other interesting comparisons to the classical system will be discussed.

Nieto, Michael Martin↗
NASA NTRS1991

Improved techniques for outgoing wave variational principle calculations of converged state-to-state transition probabilities for chemical reactions

Improved techniques and well-optimized basis sets are presented for application of the outgoing wave variational principle to calculate converged quantum mechanical reaction probabilities. They are illustrated with calculations for the reactions D + H2 yields HD + H with total angular momentum J = 3 and F + H2 yields HF + H with J = 0 and 3. The optimization involves the choice of distortion potential, the grid for calculating half-integrated Green's functions, the placement, width, and number of primitive distributed Gaussians, and the computationally most efficient partition between dynamically adapted and primitive basis functions. Benchmark calculations with 224-1064 channels are presented.

Mielke, Steven L.↗
NASA NTRS1978

Quantum-mechanical theory including angular momenta analysis of atom-atom collisions in a laser field

The problem of two atoms colliding in the presence of an intense radiation field, such as that of a laser, is investigated. The radiation field, which couples states of different electronic symmetry, is described by the number state representation while the electronic degrees of freedom (plus spin-orbit interaction) are discussed in terms of a diabatic representation. The total angular momentum of the field-free system and the angular momentum transferred by absorption (or emission) of a photon are explicitly considered in the derivation of the coupled scattering equations. A model calculation is discussed for the Xe + F collision system.

Devries, P. L.↗
NASA NTRS1976

Vibration-translation energy transfer in vibrationally excited diatomic molecules

A semiclassical collision model is applied to the study of energy transfer rates between a vibrationally excited diatomic molecule and a structureless atom. The molecule is modeled as an anharmonic oscillator with a multitude of dynamically coupled vibrational states. Three main aspects in the prediction of vibrational energy transfer rates are considered. The applicability of the semiclassical model to an anharmonic oscillator is first evaluated for collinear encounters. Second, the collinear semiclassical model is applied to obtain numerical predictions of the vibrational energy transfer rate dependence on the initial vibrational state quantum number. Thermally averaged vibration-translation rate coefficients are predicted and compared with CO-He experimental values for both ground and excited initial states. The numerical model is also used as a basis for evaluating several less complete but analytic models. Third, the role of rational motion in the dynamics of vibrational energy transfer is examined. A three-dimensional semiclassical collision model is constructed with coupled rotational motion included. Energy transfer within the molecule is shown to be dominated by vibration-rotation transitions with small changes in angular momentum. The rates of vibrational energy transfer in molecules with rational frequencies that are very small in comparison to their vibrational frequency are shown to be adequately treated by the preceding collinear models.

Mckenzie, R. L.↗