Ground-state wavefunctions and energies for the helium isoelectronic series through Z equals 10.
He isoelectronic series ground state wave functions and energies, extending configuration interaction method through Z equals 10
Brown, R. T.↗
SEARCH · Engineering Papers
Results for “State functions”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Minimum time control of a nonlinear system.
Time optimal control for nonlinear systems, expressing optimal control law as function of state variables
Fluegge-Lotz, I.↗
The use of Green's theorem to find globally optimal solutions to a class of impulsive transfers.
Globally optimal solutions to impulsive transfer based on Green theorem, analyzing cost function /characteristic velocity/ as quasi-linear function of state change
Hazelrigg, G. A., Jr.↗
Massachusetts Institute of Technology second quarterly report, 1 May - 31 July 1969
Mathematical filter scheme for bounding cross correlation between random forcing function and state error in orbital navigation system
Source record↗
Optimal filtering in the presence of unmodeled time correlated driving disturbances.
In many realistic data filtering problems, the cross correlation of the state estimation error and the state forcing function is unknown due to the poor knowledge of the time history of the forcing function. In this paper, the conservative and minimal approximation to the cross correlation terms is presented. It requires only the knowledge of the estimation error covariance and the forcing function covariance, with the choice of an associated free parameter left to the user. If the estimation error covariance and/or the forcing function covariance are bounded from above but not known exactly, the cross correlation approximation using those upper bounds remains conservative. This cross correlation approximation leads to a conservative approximation to the estimation error covariance matrix differential equation between measurement times. The free parameter is determined as the analytic solution to an associated optimal control problem. The procedure is expanded to include discrete linear measurement incorporation.
Fraser, D. C.↗
Zinc in Entamoeba invadens.
Atomic absorption spectroscopy, electron microprobe analysis, and dithizone staining of trophozoites and cysts of Entamoeba invadens demonstrate that these cells have a high concentration of zinc (approximately one picogram per cell or 1% of their dry weight). In the cysts of this organism, the zinc is confined to the chromatoid bodies, which previous work has shown to contain crystals of ribosomes. The chemical state and function of this zinc are unknown.
Morgan, R. S.↗
Optical potential approach to the electron-atom impact ionization threshold problem
The problem of the threshold law for electron-atom impact ionization is reconsidered as an extrapolation of inelastic cross sections through the ionization threshold. The cross sections are evaluated from a distorted wave matrix element, the final state of which describes the scattering from the Nth excited state of the target atom. The actual calculation is carried for the e-H system, and a model is introduced which is shown to preserve the essential properties of the problem while at the same time reducing the dimensionability of the Schrodinger equation. Nevertheless, the scattering equation is still very complex. It is dominated by the optical potential which is expanded in terms of eigen-spectrum of QHQ. It is shown by actual calculation that the lower eigenvalues of this spectrum descend below the relevant inelastic thresholds; it follows rigorously that the optical potential contains repulsive terms. Analytical solutions of the final state wave function are obtained with several approximations of the optical potential.
Temkin, A.↗
Algebraic criteria for positive realness relative to the unit circle.
A definition is presented of the circle positive realness of real rational functions relative to the unit circle in the complex variable plane. The problem of testing this kind of positive reality is reduced to the algebraic problem of determining the distribution of zeros of a real polynomial with respect to and on the unit circle. Such reformulation of the problem avoids the search for explicit information about imaginary poles of rational functions. The stated algebraic problem is solved by applying the polynomial criteria of Marden (1966) and Jury (1964), and a completely recursive algorithm for circle positive realness is obtained.
Siljak, D. D.↗
Radiative transitions involving the /2p2/ 3Pe metastable autodetaching state of H-
A Hylleraas bound-state wave function and 1s-2s-2p close-coupling continuum wave functions are used to calculate the absorption coefficient for the free-bound transition of H(1s) + e + quantum to a H anion in (2p2,3Pe) and the differential emission rate for the inverse process. The absorption and emission spectral maximum is found to be at a photon wavelength of 1219.5 A, an improvement of 2 A on other calculations. This free-bound absorption process appears to be a significant source of continuous ultraviolet opacity.
Jacobs, V. L.↗
Electron impact excitation of highly charged sodium-like ions
Optical transition probabilities and electron collision strengths for Ca X, Fe XVI, Zn XX, Kr XXVI and Mo XXXII are calculated for transitions between n equal to 3 and n equal to 4 levels. The calculations neglect relativistic effects on the radial functions. A semi-empirical approach provides wave functions of the excited states; a distorted wave function without exchange is employed to obtain the excitation cross sections. The density dependence of the relative intensities of certain emission lines in the sodium isoelectronic sequence is also discussed.
Blaha, M.↗
The utilization of abelian point group symmetry in the graphical unitary group approach to the calculation of correlated electronic wavefunctions
A procedure is described for the utilization of abelian point group symmetry in the graphical unitary group approach (GUGA) to calculations of correlated electronic wavefunctions. The procedure is based on a recursively computed set of symmetry dependent counting indices, and results in the separate numbering, without gaps, of the Gelfand states (configuration functions) belonging to each symmetry species
Shavitt, I.↗
Transport by weak electrostatic density drift fluctuations
Expressions are derived for transport by weak electrostatic microfluctuations driven unstable by a density gradient perpendicular to a uniform magnetic field in a Vlasov plasma. These expressions, which are evaluated for the universal and lower-hybrid density drift instabilities, provide improved physical interpretations for various wave-particle exchange frequencies previously reported. It is demonstrated that wave-particle effects generally reduce the free energy driving these instabilities, and that some forms of steady-state distribution functions are inappropriate for nonlinear theory.
Sanderson, J. J.↗
Improved turbulence models based on large eddy simulation of homogeneous, incompressible turbulent flows
The physical bases of large eddy simulation and subgrid modeling are studied. A subgrid scale similarity model is developed that can account for system rotation. Large eddy simulations of homogeneous shear flows with system rotation were carried out. Apparently contradictory experimental results were explained. The main effect of rotation is to increase the transverse length scales in the rotation direction, and thereby decrease the rates of dissipation. Experimental results are shown to be affected by conditions at the turbulence producing grid, which make the initial states a function of the rotation rate. A two equation model is proposed that accounts for effects of rotation and shows good agreement with experimental results. In addition, a Reynolds stress model is developed that represents the turbulence structure of homogeneous shear flows very well and can account also for the effects of system rotation.
Bardino, J.↗
Thioredoxins in evolutionarily primitive organisms
Thioredoxins are low molecular weight redox proteins, alternating between the S-S (oxidized) and SH (reduced) states, that function in a number of biochemical processes, including DNA synthesis, DNA replication, and enzyme regulation. Until recently, reduced ferredoxin was known to serve as the source of reducing power for the reduction of thioredoxins only in oxygenic photosynthetic cells. In all other organisms, the source of hydrogen (electrons) for thioredoxin reduction was considered to be NADPH. It was found that Clostridium pasteurianum, an anaerobic organism normally living in the soil unexposed to light, resembles photosynthetic cells in using ferredoxin for the reduction of thioredoxin. The results reveal the existence of a pathway in which ferredoxin, provides the reducing power for the reduction of thioredoxin via the flavoprotein enzyme, ferredoxinthioredoxin reductase. In related studies, it was found that Chromatium vinosum, an anaerobic photosynthetic purple sulfur bacterium, resembles evolutionarily more advanced micro-organisms in having an NADP-thioredoxin system composed of a single thioredoxin which is reduced by NADPH via NADP-thioredoxin reductase. The adoption of the NADP-thioredoxin system by Chromatium seems appropriate in view of evidence tha the organi sm utilizes ATP-driven reverse electron transport. Finally, results of research directed towards the identification of target enzymes of the ferredoxin/thioredoxin system in a cyanobacterium (Nostoc muscorum), show that thioredoxin-linked photosynthetic enzymes of cyanobateria are similar to those of chloroplasts. It now seems that the ferredoxin/thioredoxin system functions in regulating CO2 assimilation via the reductive pentose phosphate cycle in oxygenic but not anoxygenic photosynthetic cells.
Buchanan, B. B.↗
Approximate Feedback Control for a System With Memory
Report presents algorithm for calculating feedback gain for control of hereditary dynamical systems with control delay. Problem is to approximate optimal feedback gain that minimizes cost function of state and control. Theory applicable to design of controllers for mechanical systems subject to thermal deformation, electrical systems with delay, electrical systems with plasma components, and other systems that exhibit memory.
Milman, Mark H.↗
Probabilistic finite elements for fracture and fatigue analysis
The fusion of the probabilistic finite element method (PFEM) and reliability analysis for probabilistic fracture mechanics (PFM) is presented. A comprehensive method for determining the probability of fatigue failure for curved crack growth was developed. The criterion for failure or performance function is stated as: the fatigue life of a component must exceed the service life of the component; otherwise failure will occur. An enriched element that has the near-crack-tip singular strain field embedded in the element is used to formulate the equilibrium equation and solve for the stress intensity factors at the crack-tip. Performance and accuracy of the method is demonstrated on a classical mode 1 fatigue problem.
Liu, W. K.↗
Plasma convection and ion beam generation in the plasma sheet boundary layer
Because of the dawn-dusk electric field E(dd), plasma in the magnetotail convects from the lobe toward the central plasma sheet (CPS). In the absence of space or velocity diffusion due to plasma turbulence, convection would yield a steady state distribution function f = V exp (-2/3) g(v exp 2 V exp 2/3), where V is the flux tube volume. Starting with such a distribution function and a plasma beta which varies from beta greater than 1 in the CPS to beta much smaller than 1 in the lobe, the evolution of the ion distribution function was studied considering the combined effects of ion diffusion by kinetic Alfven waves (KAW) in the ULF frequency range (1-10 mHz) and convection due to E(dd) x B drift in the plasma sheet boundary layer (PSBL) and outer central plasma sheet (OCPS). The results show that, during the early stages after launching the KAWs, a beamlike ion distribution forms in the PSBL and at the same time the plasma density and temperature decrease in the OCPS. Following this stage, ions in the beams convect toward the CPS resulting in an increase of the plasma temperature in the OCPS.
Moghaddam-Taaheri, E.↗
Factors affecting pressure in Li-SOCl2 cells
A model was developed to describe internal pressure in a Li-SOCl2 cell as a function of state of charge and temperature. The model was used to generate sets of predicted pressure variations in a hypothetical 250-Ah cell with assumed ranges of cell design variables including initial void volume and inert gas pressure. Results were assessed to establish values of the cell design parameters that would yield a vent pressure within a temperature range that was deemed safe and also adequate for cell performance. Results indicate that a suitable design for this cell would require an initial void volume near 112 cu cm and inert gas pressure near 40 psi.
Frank, H.↗