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On the Analytic Solution of the First-Order Perturbed Wave Function of the Two-Electron Atom
Infinite power series to solve perturbation equation for ground state of helium atom
Magnetic-field radiation-scattering matrix derived with allowance for the phase couplings of the upper-level wave function
Magnetic field radiation scattering matrix
Inelastic scattering calculations with Wood- Saxon Hartree-Fock wave functions.
Inelastic scattering cross sections calculated, comparing results for various nuclear states expressed as Wood-Saxon radial and harmonic oscillator functions
Inelastic scattering calculations with projected Hartree-Fock wave functions: Coupled channel treatment
Microscopic coupled-channel analysis of proton inelastic scattering from neon and magnesium ions
Theorems satisfied by variational wave functions in scattering theory
Various theorems in the theory of spinless particle scattering by a real central potential are derived directly from the Kohn variational principle.
Inelastic scattering calculations with projected Hartree-Fock wave functions. II - Coupled-channel treatment.
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Inclusion of electron correlation for the target wave function in low- to intermediate-energy e-N2 scattering
In a recent calculation, an exact exchange method was developed for use in the partial-differential-equation approach to electron-molecule scattering and was applied to e-N2 scattering in the fixed-nuclei approximation with an adiabatic polarization potential at low energies (0-10 eV). Integrated elastic cross sections were calculated and found to be lower than experiment at energies both below and above the Pi(g) resonance. It was speculated at that time that improved experimental agreement could be obtained if a correlated target representation were used in place of the uncorrelated one. The present paper implements this suggestion and demonstrates the improved agreement. These calculations are also extended to higher energies (0-30 eV) so asd to include the Sigma(u) resonance. Some discrepancies among the experiments and between experiment and the various calculations at very low energy are noted.
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.
The wave function and minimum uncertainty function of the bound quadratic Hamiltonian system
The bound quadratic Hamiltonian system is analyzed explicitly on the basis of quantum mechanics. We have derived the invariant quantity with an auxiliary equation as the classical equation of motion. With the use of this invariant it can be determined whether or not the system is bound. In bound system we have evaluated the exact eigenfunction and minimum uncertainty function through unitary transformation.
Lame's Wave Functions of the Ellipsoid of Revolution
It has recently Miss Gertrude Blanch that errors exist in been brought to the attention of the NACA by of the Bureau of Standards, Department of Commerce the tabulated values appearing in tables 11 to 17 of TM 1224. Miss Blanch notes that C. J. Bouwkamp~ from whom Meixner obtained the values presented, subsequently corrected them in tables. appearing in the Journal of Mathematics and Physics, vol. XXVI, no. 2, JULY 1947, pp. 88-91. In spite of the difference in symbols and notation in the two papers, reprints of tables I to IX included in the July 1947 issue of the Journal of Mathematics and Physics are attached for the use of those interested in receiving them. The NACA wishes to express its appreciation to the Journal of Mathematics and Physics for permitting these tables to be reproduced for this purpose.
Wave function engineering for normal incidence infrared detection
The quantum well infrared photodetector is an artificially engineered semiconductor multilayer structure designed to absorb and detect infrared radiation.
Theoretical studies of solar-pumped lasers
Estimates of the absorption and emission characteristics of molecules required to develop materials for solar-pumped lasers are addressed. These characteristics are described in terms of the Franck Condon factors, which are calculated from the molecular wave functions. Wave functions for vibrational levels in the lower and upper electronic states of I2 and NSe are calculated numerically and methods of checking errors discussed. Errors arise when the vibrational quantum numbers are high; but, using a calculated rather than measured value of the dissociation energy, wave functions up to the fiftieth vibrational level are obtained. A numerical method of evaluating the wave functions is given, which should be more accurate in the region of electronic transitions during absorption. Franck Condon factors, plotted versus the wavelength of the absorbed photons, are shown, and a check on the Franck Condon factors is made using the vibrational sum rule.
A variational method for the calculation of dynamic polarizabilities and two-photon transition moments - The dressed molecule approach
The solution of the time-dependent Schroedinger equation of the molecule + radiation field system is analyzed. A quantized radiation field is used. The relationship between the oscillatory wave function and the dressed state wave function is established, the oscillatory wave function being the solution if the radiation field is turned on at t = 0 and the dressed state being the stationary solution satisfying the boundary condition only if the field is present at t = negative infinity. In general, the oscillatory wave function can be expressed using a complete set of dressed states. However, in the presence of a nonresonant radiation field, the system is well represented by a single dressed state. Molecular properties such as dynamic polarizabilities and two-photon transition moments can be deduced from the dressed state wave function instead of the oscillatory wave function as in previous methods. Because of its stationary character, the dressed state is more amenable to approximate calculations. A CI method is developed for this purpose. The CI matrix is simple in form and can be readily constructed using existing computer codes. The present method can also be adapted to calculate other optical properties.
Wave propagation in viscoelastic solids with measured relaxation or creep functions
Wave propagation in viscoelastic solids with measured relaxation or creep functions
Ab initio studies of low-lying 3Sigma(-), 3Pi, and 5Sigma(-) states of NH. I - Potential curves and dipole moment functions
Configuration interaction wave functions, potential energy curves, and dipole moment functions have been calculated for the four lowest 3Sigma(-) and the three lowest 3Pi states and 5Sigma(-) states of NH. The electronic wave functions were constructed to give a balanced description of valence-Rydberg interactions. Two repulsive states have been identified as important photodissociation pathways. Spectroscopic constants are presented for the bound states, and results are compared to other theoretical and experimental work. The possible predissociation of the A 3Pi state by the 1 5Sigma(-) state is discussed.
Parity-violating electric-dipole transitions in helium
The paper examines parity-violating electric-dipole transitions in He in order to gain insight into the reliability of approximate calculations which are carried out for transitions in many-electron atoms. The contributions of the nearest-lying states are computed with a variety of wave functions, including very simple product wave functions, Hartree-Fock functions and Hylleraas-type wave functions with up to 84 parameters. It is found that values of the matrix elements of the parity-violating interaction can differ considerably from the values obtained from the good wave functions, even when these simple wave functions give accurate values for the matrix elements in question