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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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At least 469 records · Page 26
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NASA NTRS1992

A simple correction for the Born approximation for electron impact excitation of hydrogenic ions

An analytic procedure is developed for obtaining the electron impact excitation cross sections for hydrogenic ions. A simple modification of the Born approximation, in order to include Coulomb focusing of the continuum wave functions, produces the correct energy dependence of the cross section near excitation threshold. This procedure is used to compute the 1s yields 2s and 1s yields 2p excitation cross sections for hydrogenic ions (Z approaches infinity), and compare these modified-Born cross sections with numerical Colomb-Born calculations. The modified-Born cross sections agree well with the Coulomb-Born cross sections and thus provide a reliable generalized analytic expression for electron impact excitation of hydrogenic ions. By treating effective charges, the results in this work can be extended to nonhydrogenic target systems.

Jung, Young-Dae↗
NASA NTRS1993

Wave packet motion in harmonic potential and computer visualization

Wave packet motions of a single electron in harmonic potentials or a magnetic field are obtained analytically. The phase of the wave function which depends on both time and space is also presented explicitly. The probability density of the electron changes its width and central position periodically. These results are visualized using computer animation techniques.

Tsuru, Hideo↗
NASA NTRS1993

Point form relativistic quantum mechanics and relativistic SU(6)

The point form is used as a framework for formulating a relativistic quantum mechanics, with the mass operator carrying the interactions of underlying constituents. A symplectic Lie algebra of mass operators is introduced from which a relativistic harmonic oscillator mass operator is formed. Mass splittings within the degenerate harmonic oscillator levels arise from relativistically invariant spin-spin, spin-orbit, and tensor mass operators. Internal flavor (and color) symmetries are introduced which make it possible to formulate a relativistic SU(6) model of baryons (and mesons). Careful attention is paid to the permutation symmetry properties of the hadronic wave functions, which are written as polynomials in Bargmann spaces.

Klink, W. H.↗
NASA NTRS1992

Multiple-scattering effects in quasielastic alpha-He-4 scattering

A multiple-scattering series for describing the quasielastic peak in nucleus-nucleus collisions is derived using the high-energy optical model. The effects of multiple knockout of target nucleons and internal excitation of the projectile are studied and found to be important for large energy loss and momentum transfers in inclusive alpha-He-4 scattering at 7 GeV/c. An approximate evaluation of higher-order inelastic collision terms is considered for forward-peaked wave functions and is demonstrated to be accurate.

Cucinotta, Francis A.↗
NASA NTRS1992

Hydroxyl X2Pi pure rotational transitions

We present a list of frequencies, term values, Einstein A values, and assignments for the pure rotational transitions of the X2Pi state of the OH molecule. This list includes transitions from 3 to 2015/cm for Delta-v = 0, v-double-prime = 0-4, and J-double-prime = 0.5-49.5. The A values were computed using recent advances in calculating wave functions for a coupled system and an experimentally derived electric dipole moment function (Nelson et al., 1990) which exhibits curvature.

Goorvitch, D.↗
NASA NTRS1992

Confining potential in momentum space

A method is presented for the solution in momentum space of the bound state problem with a linear potential in r space. The potential is unbounded at large r leading to a singularity at small q. The singularity is integrable, when regulated by exponentially screening the r-space potential, and is removed by a subtraction technique. The limit of zero screening is taken analytically, and the numerical solution of the subtracted integral equation gives eigenvalues and wave functions in good agreement with position space calculations.

Norbury, John W.↗
NASA NTRS1993

Open-shell coupled-cluster theory

An efficient formulation of a recently proposed open-shell singles and doubles coupled-cluster (OCCSD) method is presented. This formulation is in terms of spatial orbital one- and two-electron integrals. Our new OCCSD method is based on 'symmetric spin orbitals' and is thus symmetric (or antisymmetric) in the spin indices. It therefore contains about half the number of independent parameters in the coupled-cluster wave function compared to other open-shell CCSD methods. It is shown that the formulation presented here contains less than half the number of n exp 6 steps (where n is the number of molecular orbitals) of other recently proposed open-shell CCSD methods. A new approach by which amplitudes in our method may be compared with amplitudes in a previous OCCSD method is examined.

Jayatilaka, Dylan↗
NASA NTRS1993

Atomic data for a five-configuration model of Fe XIV

Collision strengths calculated in the distorted wave approximation are presented for electron excitation of Fe XIV at incident energies of 10, 20 and 30 Rydbergs. Configurations 3s(2)3p, 3s3p(2), 3s(2)3d, 3p(3), and 3s3p3d are included, comprising 40 levels, and wave function mixing coefficients are tabulated. Radiative transition rates are given for the same model using the Superstructure program.

Bhatia, A. K.↗
NASA NTRS1993

Local principles of wave propagation in inhomogeneous media

Four local principles are proven for waves propagating in a layered medium with a variable wave speed. These principles are (1) that inhomogeneities increase the amplitude of waves generated by a source of fixed strength, (2) that inhomogeneities reduce spatial oscillation, or increase the wavelength, (3) that inhomogeneities decrease transmission, or increase reflection, and (4) that transmission increases monotonically with frequency. Definitions of inhomogeneity, local wave function, and local reflection and transmission coefficients are made as a basis for stating these principles.

Gingold, Harry↗
NASA NTRS1993

Structure and thermochemistry of ClO2 radicals

The structure of ClO2 has been calculated for the X 2A-double prime ground state using unrestricted Hartree-Fock (UHF), unrestricted second-order Moller-Plesset perturbation (UMP2), configuration interaction employing single and double excitation (CISD), and quadratic configuration interaction (QCI) ab initio molecular orbital methods. Calculations using UMP2 and CISD wave functions predict a ClO bond length of 1.728 +/- 0.01 A. The single-configuration-based QCI in the singles and doubles space with perturbation inclusion of triple substitutions, denoted QCISD(T), yield a ClO bond length of 2.205 A. The QCI results are consistent with results of Jensen (1990) who showed that the ClO bond length is 2.181 A using annihilated self-consistent methods (AUMP2). The thermochemistry of ClO2 radical has been calculated using MP2 and QCI methods employing an isodesmic scheme. Our scheme predicts the heat of formation for ClO2 at 0 K to be 24.6 +/- 2 kcal/mol.

Francisco, J. S.↗
NASA NTRS1993

Non-gauge phase transformations in quantum transition amplitudes

The prescription for introducing a gauge transformation into a quantum transition amplitude, nominally well known, contains an ambiguous feature. It is presumed by some authors that an appropriate transformation of the phase of a wave function will generate the associated gauge transformation. It is shown that this is a necessary but not sufficient step. Examples from the literature are cited to show the consequences of the failure of this procedure. One must distinguish between true gauge transformations and unitary transformations within a fixed gauge.

Reiss, H. R.↗
NASA NTRS1993

Theoretical research program to study chemical reactions in AOTV bow shock tubes

The main focus was the development, implementation, and calibration of methods for performing molecular electronic structure calculations to high accuracy. These various methods were then applied to a number of chemical reactions and species of interest to NASA, notably in the area of combustion chemistry. Among the development work undertaken was a collaborative effort to develop a program to efficiently predict molecular structures and vibrational frequencies using energy derivatives. Another major development effort involved the design of new atomic basis sets for use in chemical studies: these sets were considerably more accurate than those previously in use. Much effort was also devoted to calibrating methods for computing accurate molecular wave functions, including the first reliable calibrations for realistic molecules using full CI results. A wide variety of application calculations were undertaken. One area of interest was the spectroscopy and thermochemistry of small molecules, including establishing small molecule binding energies to an accuracy rivaling, or even on occasion surpassing, the experiment. Such binding energies are essential input to modeling chemical reaction processes, such as combustion. Studies of large molecules and processes important in both hydrogen and hydrocarbon combustion chemistry were also carried out. Finally, some effort was devoted to the structure and spectroscopy of small metal clusters, with applications to materials science problems.

Taylor, Peter R.↗
NASA NTRS1994

On the theory of quantum measurement

Many so called paradoxes of quantum mechanics are clarified when the measurement equipment is treated as a quantized system. Every measurement involves nonlinear processes. Self consistent formulations of nonlinear quantum optics are relatively simple. Hence optical measurements, such as the quantum nondemolition (QND) measurement of photon number, are particularly well suited for such a treatment. It shows that the so called 'collapse of the wave function' is not needed for the interpretation of the measurement process. Coherence of the density matrix of the signal is progressively reduced with increasing accuracy of the photon number determination. If the QND measurement is incorporated into the double slit experiment, the contrast ratio of the fringes is found to decrease with increasing information on the photon number in one of the two paths.

Haus, Hermann A.↗
NASA NTRS1994

The thermal-wave model: A Schroedinger-like equation for charged particle beam dynamics

We review some results on longitudinal beam dynamics obtained in the framework of the Thermal Wave Model (TWM). In this model, which has recently shown the capability to describe both longitudinal and transverse dynamics of charged particle beams, the beam dynamics is ruled by Schroedinger-like equations for the beam wave functions, whose squared modulus is proportional to the beam density profile. Remarkably, the role of the Planck constant is played by a diffractive constant epsilon, the emittance, which has a thermal nature.

Fedele, Renato↗
NASA NTRS1994

General properties of quantum optical systems in a strong field limit

We investigate the dynamics of an arbitrary atomic system (n-level atoms or many n-level atoms) interacting with a resonant quantized mode of an em field. If the initial field state is a coherent state with a large photon number then the system dynamics possesses some general features, independently of the particular structure of the atomic system. Namely, trapping states, factorization of the wave function, collapses and revivals of the atomic energy oscillations are discussed.

Chumakov, S. M.↗
NASA NTRS1995

Coherent states for the relativistic harmonic oscillator

Recently we have obtained, on the basis of a group approach to quantization, a Bargmann-Fock-like realization of the Relativistic Harmonic Oscillator as well as a generalized Bargmann transform relating fock wave functions and a set of relativistic Hermite polynomials. Nevertheless, the relativistic creation and annihilation operators satisfy typical relativistic commutation relations of the Lie product (vector-z, vector-z(sup dagger)) approximately equals Energy (an SL(2,R) algebra). Here we find higher-order polarization operators on the SL(2,R) group, providing canonical creation and annihilation operators satisfying the Lie product (vector-a, vector-a(sup dagger)) = identity vector 1, the eigenstates of which are 'true' coherent states.

Aldaya, Victor↗
NASA NTRS1996

Quantum Zeno Effect in the Measurement Problem

Critically analyzing the so-called quantum Zeno effect in the measurement problem, we show that observation of this effect does not necessarily mean experimental evidence for the naive notion of wave-function collapse by measurement (the simple projection rule). We also examine what kind of limitation the uncertainty relation and others impose on the observation of the quantum Zeno effect.

Namiki, Mikio↗