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Articles 30481 - 30510 of 36660

Full-Text Articles in Physical Sciences and Mathematics

Double Layer Effects On Shock Wave Propagation, Shannon L. Walker Mar 1999

Double Layer Effects On Shock Wave Propagation, Shannon L. Walker

Theses and Dissertations

An analysis and assessment of two mechanisms in plasma shock interactions was conducted under conditions typically encountered in a weakly ionized glow discharge. The mechanisms of a spatially-dependent electron temperature and additional electron impact ionization at the shock front were examined for effects on shock structure and propagation. These mechanisms were incorporated into an existing one-dimensional, time-dependent, fluid dynamics code that uses the Riemami problem as a basis and numerically solves the Euler equations for two fluids: the neutral gas and the charged component. The spatial variation in electron temperature was modeled as a shock-centered rise in temperature. Additional ionization …


Electrical Characterization Of Ion-Implanted 4h-Silicon Carbide, Christian P. Morath Mar 1999

Electrical Characterization Of Ion-Implanted 4h-Silicon Carbide, Christian P. Morath

Theses and Dissertations

Electrical characterization has been performed on ion-implanted p-type 4H-SiC to assess the activation efficiency and implantation-related damage recrystallization with the intention of developing an implantation/annealing scheme. Low doped (Na - Nd = 5x10(exp 15)/cu cm) epitaxial p-type layers grown by MOCVD were implanted with Al or B at doses ranging from 1x10(exp 13) to 1x10(exp 14)/sq cm at room temperature or 500 deg. C. The electrical technique of Temperature Dependent Hall Effect (TDHE) indicated that Al and B act as shallow acceptors 4H-SiC with ionization energies of ^252 and ^285 meV, respectively. The highest activation efficiency for Al and B …


Band Structure Anisotropy In Semiconductor Quantum Wells, Steven J. Novotny Mar 1999

Band Structure Anisotropy In Semiconductor Quantum Wells, Steven J. Novotny

Theses and Dissertations

The focus of this research is an investigation of energy band anisotropy in simple quantum well structures. This anisotropy results from the asymmetry of the periodic potential within the crystal lattice. For sufficiently high doping levels, band structure anisotropy is expected to play an important role in the evaluation of the electronic and optical properties of the quantum well structures. The analysis uses a model based on a 6x6 Luttinger-Kohn k.p approach for bulk material valence band structure together with the Envelope Function Approximation. The model is used to analyze Si/SiGe, AlGaAs/GaAs, and GaAs/InGaAs quantum wells for the 001 and …


Optimization Of A Multilayer Photothermal Sensor For Infrared Spectroscopy, Janine O.J. Wiggins Mar 1999

Optimization Of A Multilayer Photothermal Sensor For Infrared Spectroscopy, Janine O.J. Wiggins

Theses and Dissertations

Tri-layer thermal diffusion modeling was applied to the optimization of a multi-layer reed sensor for use in a photothermal infrared detector. The multi-layer reed sensor deflects in response to increased temperature. Deflection, of angstroms or larger, is measured using an atomic force microscope. A newly developed thermal diffusion model for three layer reeds was combined with an existing two-layer cantilever model, in order to explore the effects of length, operating frequency, and layer thickness on signal to noise ratio. Model behavior is presented, and compared to laboratory results.


Active Multispectral Band Selection And Reflectance Measurement System, Bradley D. Rennich Mar 1999

Active Multispectral Band Selection And Reflectance Measurement System, Bradley D. Rennich

Theses and Dissertations

Due to system design requirements, an active multispectral laser radar system may be limited in the number of spectral bands that can be integrated into the system. To aid in the selection of these bands, a novel multispectral band selection technique is presented based on the cross-correlation of the material class reflectance spectra over a wavelength range of 1 - 5 microns. The algorithm uses directional hemispherical reflectance data from the Nonconventional Exploitation Factors database to select a number of spectral bands for classification purposes. Because the target material spectral reflectance is so important to the performance of an active …


Characterization Of The Double Scatter Spectrum In Multiplexed Compton Scatter Tomography, David W. Gerts Mar 1999

Characterization Of The Double Scatter Spectrum In Multiplexed Compton Scatter Tomography, David W. Gerts

Theses and Dissertations

The Multiplexed Compton Scatter Tomograph (MCST) uses single back-scattered photons to image electron density in aluminum. A source of error in this imaging technique is the presence of multiple scatters. This thesis studies the double scatter spectrum as an approximation of the multiple scatter spectrum. A deterministic code called Monte Carlo Double Scatter (MOCADS) was developed to investigate the double scatter spectrum. The code includes calculations of the Rayleigh scatter, Compton scatter, Doppler broadening effects of the spectrum, and polarization effects following the Compton scatter. The Doppler broadening portion of the code was validated by a deterministic code called Scatgram. …


Laser Beam Combining And Cleanup Via Stimulated Brillouin Scattering In Multi-Mode Optical Fibers, Blake C. Rodgers Mar 1999

Laser Beam Combining And Cleanup Via Stimulated Brillouin Scattering In Multi-Mode Optical Fibers, Blake C. Rodgers

Theses and Dissertations

The main objective of this thesis was to demonstrate the feasibility of combining and cleaning up multiple laser beams via Stimulated Brillouin Scattering (SBS) in a multi-mode optical fiber. Beam combining via SBS in an optical fiber is of interest because of the low SBS threshold power in an optical fiber allowing low power diode laser beams to be combined into one high power beam. SBS theory and some of the important historical results are described briefly. The experimental results clearly indicate that SBS in multi-mode optical fiber can indeed combine laser beams and clean up the beams at the …


Mirroring Behavior Of Partial Photodetachment And Photoionization Cross Sections In The Neighborhood Of A Resonance, Chien-Nan Liu, Anthony F. Starace Mar 1999

Mirroring Behavior Of Partial Photodetachment And Photoionization Cross Sections In The Neighborhood Of A Resonance, Chien-Nan Liu, Anthony F. Starace

Anthony F. Starace Publications

Partial photodetachment and photoionization cross sections corresponding to highly excited residual atoms or ions are shown analytically to mirror one another in the neighborhood of a resonance. More precisely, any two groupings of partial cross sections are shown here to have components whose variations with energy near a resonance are equal in magnitude and opposite in direction. This work extends an analysis of Starace [Phys. Rev. A 16, 231 (1977)] for the behavior of partial cross sections near a resonance to the case when the ρ2 parameter of Fano and Cooper [Phys. Rev. 137, A1364 (1965)] tends to zero.


The Cleo-Iii Ring Imaging Cherenkov Detector, Raymond Mountain, Marina Artuso, R. Ayad, F. Azfar Feb 1999

The Cleo-Iii Ring Imaging Cherenkov Detector, Raymond Mountain, Marina Artuso, R. Ayad, F. Azfar

Physics - All Scholarship

The CLEO-III Detector upgrade for charged particle identification is discussed. The RICH design uses solid LiF crystal radiators coupled with multi-wire chamber photon detectors, using TEA as the photosensor, and low-noise Viking readout electronics. Results from our beam test at Fermilab are presented.


Computational Complexity Of Determining The Barriers To Interface Motion In Random Systems, Alan Middleton Feb 1999

Computational Complexity Of Determining The Barriers To Interface Motion In Random Systems, Alan Middleton

Physics - All Scholarship

The low-temperature driven or thermally activated motion of several condensed matter systems is often modeled by the dynamics of interfaces (co-dimension-1 elastic manifolds) subject to a random potential. Two characteristic quantitative features of the energy landscape of such a many-degree-of-freedom system are the ground-state energy and the magnitude of the energy barriers between given configurations. While the numerical determination of the former can be accomplished in time polynomial in the system size, it is shown here that the problem of determining the latter quantity is NP-complete. Exact computation of barriers is therefore (almost certainly) much more difficult than determining the …


He I 2.06 Micron Emission From Nebulae, Gary J. Ferland Feb 1999

He I 2.06 Micron Emission From Nebulae, Gary J. Ferland

Physics and Astronomy Faculty Publications

The spectrum emitted by any astronomical plasma is sensitive to a variety of details, some of which may not be obviously important. This paper describes the sensitivity of the He I 2.06 μm line to the gas opacity at ionizing energies. The intensity of the line relative to a hydrogen line depends on the He+/H+ ratio, but also on the ratio of continuous to He I Lyα line opacity, since this determines whether the Lyα line can scatter often enough to be converted to the 2.06 μm line. The intensity of the infrared line relative to Hβ …


Measurement Of The Mass Splittings Between The Bb̅ΧB,J(1P) States, K. W. Edwards, Kenneth A. Bloom, Cleo Collaboration Feb 1999

Measurement Of The Mass Splittings Between The Bb̅ΧB,J(1P) States, K. W. Edwards, Kenneth A. Bloom, Cleo Collaboration

Kenneth Bloom Publications

We present new measurements of photon energies and branching fractions for the radiative transitions Υ(2S) → γχb(J=0,1,2)(1P). The masses of the χb states are determined from the measured radiative photon energies. The ratio of mass splittings between the χb substates, r ≡ [(MJ=2 -MJ=1)/( MJ=1 - MJ=0), with M the χb mass, provides information on the nature of the bb̅ confining potential. We find r(1P)=0.542 ±0.022±0.024. This value is somewhat lower than the previous world average, but more consistent with …


Parity Violation In Neutron Resonances In 107,109ag, L Y. Lowie, J D. Bowman, J Corvi, Bret E. Crawford, P P J. Delheij, C M. Frankle, M Iinuma, J N. Knudsen, A Masaike, Y Matsuda, G E. Mitchell, S I. Penttila, H Postma, N R. Roberson, S J. Seestrom, E I. Sharapov, H M. Shimizu Feb 1999

Parity Violation In Neutron Resonances In 107,109ag, L Y. Lowie, J D. Bowman, J Corvi, Bret E. Crawford, P P J. Delheij, C M. Frankle, M Iinuma, J N. Knudsen, A Masaike, Y Matsuda, G E. Mitchell, S I. Penttila, H Postma, N R. Roberson, S J. Seestrom, E I. Sharapov, H M. Shimizu

Physics and Astronomy Faculty Publications

Parity nonconservation (PNC) was studied in p-wave resonances in Ag by measuring the helicity dependence of the neutron total cross section. Transmission measurements on natural Ag were performed in the energy range 32 to 422 eV with the time-of-flight method at the Manuel Lujan Neutron Scattering Center at Los Alamos National Laboratory. A total of 15 p-wave neutron resonances were studied in 107Ag and ninep-wave resonances in 109Ag. Statistically significant asymmetries were observed for eight resonances in 107Ag and for four resonances in109Ag. An analysis treating the PNC matrix elements as random variables yields a …


Dislocation Scattering In Gan, David C. Look, J. R. Sizelove Feb 1999

Dislocation Scattering In Gan, David C. Look, J. R. Sizelove

Physics Faculty Publications

A theory of charged-dislocation-line scattering is developed within the framework of the Boltzmann transport equation. A fit of the theory to temperature-dependent Hall-effect data in GaN gives dislocation densities which are in excellent agreement with those measured by transmission electron microscopy. This work shows that threading edge dislocations in GaN indeed are electrically active, in agreement with recent theoretical predictions.


Search For Parity Violation In 93nb Neutron Resonances, E I. Sharapov, J D. Bowman, Bret E. Crawford, P P J. Delheij, C M. Frankle, K Fukuda, M Iinuma, J N. Knudsen, J Lokitz, L Y. Lowie, A Masaike, Y Matsuda, Y Matsuda, G E. Mitchell, S I. Penttila, H Postma, N R. Roberson, S J. Seestrom, H M. Shimizu, Sharon L. Stephenson, Y-F Yen, V W. Yuan Feb 1999

Search For Parity Violation In 93nb Neutron Resonances, E I. Sharapov, J D. Bowman, Bret E. Crawford, P P J. Delheij, C M. Frankle, K Fukuda, M Iinuma, J N. Knudsen, J Lokitz, L Y. Lowie, A Masaike, Y Matsuda, Y Matsuda, G E. Mitchell, S I. Penttila, H Postma, N R. Roberson, S J. Seestrom, H M. Shimizu, Sharon L. Stephenson, Y-F Yen, V W. Yuan

Physics and Astronomy Faculty Publications

A new search has been performed for parity violation in the compound nuclear states of 94Nb by measuring the helicity dependence of the neutron total cross section. Transmission measurements on a thick niobium target were performed by the time-of-flight method at the Manuel Lujan Neutron Scattering Center with a longitudinally polarized neutron beam in the energy range 32 to 1000 eV. A total of 18 p-wave resonances in 93Nb were studied with none exhibiting a statistically significant parity-violating longitudinal asymmetry. An upper limit of 1.0×10-7 eV (95% confidence level) was obtained for the weak spreading widthΓw …


Anisotropic Magnetoresistance In The Organic Superconductor Β″–(Bedt-Ttf)2sf5ch2cf2so3, X. Su, F. Zuo, J. A. Schlueter, Jack M. Williams, P. G. Nixon, Rolf Walter Winter, Gary L. Gard Feb 1999

Anisotropic Magnetoresistance In The Organic Superconductor Β″–(Bedt-Ttf)2sf5ch2cf2so3, X. Su, F. Zuo, J. A. Schlueter, Jack M. Williams, P. G. Nixon, Rolf Walter Winter, Gary L. Gard

Chemistry Faculty Publications and Presentations

In this paper, we report transport measurements of interlayer magnetoresistance with field parallel and perpendicular to the current direction in an all organic superconductor β″–(BEDT-TTF)₂SF₅CH₂CF₂SO₃. For H∥I, the isothermal magnetoresistance R(H) at low temperatures (T


Exposure To Atmospheric Radon, Daniel J. Steck, R. William Field, Charles F. Lynch Feb 1999

Exposure To Atmospheric Radon, Daniel J. Steck, R. William Field, Charles F. Lynch

Physics Faculty Publications

We measured radon (222Rn) concentrations in Iowa and Minnesota and found that unusually high annual average radon concentrations occur outdoors in portions of central North America. In some areas, outdoor concentrations exceed the national average indoor radon concentration. The general spatial patterns of outdoor radon and indoor radon are similar to the spatial distribution of radon progeny in the soil. Outdoor radon exposure in this region can be a substantial fraction of an individual's total radon exposure and is highly variable across the population. Estimated lifetime effective dose equivalents for the women participants in a radon-related lung cancer …


Elastic And Shear Moduli Of Single-Walled Carbon Nanotube Ropes, Nancy Burnham, Jean-Paul Salvetat, G Andrew D Briggs, Jean-Marc Bonard, Revathi Bacsa, Andrzej Kulik, Thomas Stöckli, László Forró Jan 1999

Elastic And Shear Moduli Of Single-Walled Carbon Nanotube Ropes, Nancy Burnham, Jean-Paul Salvetat, G Andrew D Briggs, Jean-Marc Bonard, Revathi Bacsa, Andrzej Kulik, Thomas Stöckli, László Forró

Nancy A. Burnham

Carbon nanotubes are believed to be the ultimate low-density high-modulus fibers, which makes their characterization at nanometer scale vital for applications. By using an atomic force microscope and a special substrate, the elastic and shear moduli of individual single-walled nanotube (SWNT) ropes were measured to be of the order of 1 TPa and 1 GPa, respectively. In contrast to multiwalled nanotubes, an unexpectedly low intertube shear stiffness dominated the flexural behavior of the SWNT ropes. This suggests that intertube cohesion should be improved for applications of SWNT ropes in high-performance composite materials.


Impact Parameter Related Final N-Level Splitting Observed In Aligned Ion-Rydberg Collisions, K. R. Cornelius, Ronald E. Olson Jan 1999

Impact Parameter Related Final N-Level Splitting Observed In Aligned Ion-Rydberg Collisions, K. R. Cornelius, Ronald E. Olson

Physics Faculty Research & Creative Works

The classical trajectory Monte Carlo method has been used to calculate the final product principal quantum state n f-distributions in electron capture collisions involving a proton incident on a Rydberg hydrogen atom in an ni = 25 state. The generalized eccentricity, defined by orienting the classical eccentricity of the electron's orbit relative to the incident ion, was varied to show how the final state n f-levels depended on this quantity over the range of reduced collision speeds v* = vp/ve = 1.0-2.4. Plots of the final product n f-distributions at low reduced velocities show a resonance peak near n f …


Oh 1720 Megahertz Masers In Supernova Remnants: C-Shock Indicators, Phil Lockett, Eric Gauthier, Moshe Elitzur Jan 1999

Oh 1720 Megahertz Masers In Supernova Remnants: C-Shock Indicators, Phil Lockett, Eric Gauthier, Moshe Elitzur

Physics and Astronomy Faculty Publications

Recent observations show that the OH 1720 MHz maser is a powerful probe of the shocked region where a supernova remnant strikes a molecular cloud. We perform a thorough study of the pumping of this maser and find tight constraints on the physical conditions needed for its production. The presence of the maser implies moderate temperatures (50-125 K) and densities (~105 cm-3) and OH column densities of order 1016 cm-2. We show that these conditions can exist only if the shocks are of C-type. J-shocks fail by such a wide margin that the presence …


Influence Of Dynamical Scattering In Crystalline Poly„Vinylidene, C.N. Borca, Jaewu Choi, Shireen Adenwalla, Stephen Ducharme, Peter A. Dowben, Lee Robertson, V.M. Fridkin, S.P. Palto, N. Petukhova Jan 1999

Influence Of Dynamical Scattering In Crystalline Poly„Vinylidene, C.N. Borca, Jaewu Choi, Shireen Adenwalla, Stephen Ducharme, Peter A. Dowben, Lee Robertson, V.M. Fridkin, S.P. Palto, N. Petukhova

Stephen Ducharme Publications

The effective Debye temperature of poly(vinylidene fluoride-trifluoroethylene) copolymers was measured using photoemission and neutron diffraction techniques. An effective Debye temperature of 53611K is obtained from the photoemission data and 6963.5K from neutron diffraction measurements. This effective Debye temperature is a consequence of the temperature-dependent dynamic motions perpendicular to the surface of these crystalline polymer films.


Dynamics Of The Dirac-Born-Infeld Spike Soliton, David Kastor, Jennie Traschen Jan 1999

Dynamics Of The Dirac-Born-Infeld Spike Soliton, David Kastor, Jennie Traschen

David Kastor

We compare oscillations of a fundamental string ending on a D3-brane in two different settings: (1) a test string radially threading the horizon of an extremal black D3-brane and (2) the spike soliton of the DBI effective action for a D3-brane. Previous work has shown that overall transverse modes of the test string appear as l=0 modes of the transverse scalar fields of the DBI system. We identify DBI world-volume degrees of freedom that have dynamics matching those of the test-string relative transverse modes. We show that there is a map, resembling T duality, between relative and overall transverse modes …


Evidence Of Dynamic Jahn-Teller Distortions In Two-Dimensional Crystalline Molecular Films, Jaewu Choi, Peter A. Dowben, C.N. Borca, Shireen Adenwalla, A.V. Bune, Stephen Ducharme, V.M. Fridkin, S.P. Palto, N. Petukhova Jan 1999

Evidence Of Dynamic Jahn-Teller Distortions In Two-Dimensional Crystalline Molecular Films, Jaewu Choi, Peter A. Dowben, C.N. Borca, Shireen Adenwalla, A.V. Bune, Stephen Ducharme, V.M. Fridkin, S.P. Palto, N. Petukhova

Peter Dowben Publications

The surface electronic structure in crystalline copolymer films of vinylidene fluoride (70%) with trifluoroethylene (30%) has been studied by photoemission and inverse photoemission as a function of alkali metal (sodium) doping. Sodium doping introduces at least two new states into the band (HOMO-LUMO) gap well away from the Fermi level. While the sodium-doped copolymer is observed to resemble an n-type semiconductor, the change in electronic structure with temperature suggests that dynamic distortions lead to a photoemission initial state splitting of the lower Hubbard-like bands. There is a decrease in the effective Debye temperature with sodium doping which may, in turn, …


Structural Domain Growth Of Strained Gadolinium On Mo(112), C. Waldfried, Peter A. Dowben, O. Zeybek, T. Bertrams, S. D. Barrett Jan 1999

Structural Domain Growth Of Strained Gadolinium On Mo(112), C. Waldfried, Peter A. Dowben, O. Zeybek, T. Bertrams, S. D. Barrett

Peter Dowben Publications

The growth mode of domains of the hexagonal lattice of strained gadolinium deposited on Mo(112) has been investigated with low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM). The molybdenum substrate corrugations and the expansive strain within the gadolinium films dominate the growth of the thin Gd films, which is characterized by a preferential domain growth direction of the hexagonal Gd crystal structure, unlike the more uniform, epitaxial growth of ‘unstrained’ gadolinium, grown on W(110).


Measurement Of The Top Quark Mass With The Collider Detector At Fermilab, F. Abe, Kenneth A. Bloom, Collider Detector At Fermilab Collaboration Jan 1999

Measurement Of The Top Quark Mass With The Collider Detector At Fermilab, F. Abe, Kenneth A. Bloom, Collider Detector At Fermilab Collaboration

Kenneth Bloom Publications

We present a new measurement of the top quark mass in tt̅ events in which both W bosons from top quarks decay into leptons (eν, μν). We use events collected by the CDF experiment from pp̅ collisions at √s =1.8 TeV at the Tevatron collider. We measure a top quark mass of 167.4 ± 10.3(stat) ± 4.8(syst) GeV/c2 from a sample of eight events. We combine this result with previous CDF measurements in other decay channels to obtain a final mass value of 176.0 ± 6.5 GeV/c2.


Fluctuation Properties Of Precipitation. Part Iv: Finescale Clustering Of Drops In Variable Rain, A. R. Jameson, Alexander Kostinski, A Kruger Jan 1999

Fluctuation Properties Of Precipitation. Part Iv: Finescale Clustering Of Drops In Variable Rain, A. R. Jameson, Alexander Kostinski, A Kruger

Department of Physics Publications

In recent studies it is shown that in variable rain the spatial distribution of drops is not Poissonian. However, these past studies were limited to 1-min drop counts, which likely correspond to spatial scales of a few hundred to several hundreds of meters.

In this work results based on 1-s drop counts using a video disdrometer are reported. It is shown that the clustering of raindrops previously found during intervals of 1 min also occurs during 1 s as well in convective rain. These latter temporal scales likely correspond to spatial features having dimensions from only a few to tens …


Numerical Simulations Of Fe Ii Emission Spectra, E. M. Verner, D. A. Verner, K. T. Korista, Jason W. Ferguson, F. Hamann, Gary J. Ferland Jan 1999

Numerical Simulations Of Fe Ii Emission Spectra, E. M. Verner, D. A. Verner, K. T. Korista, Jason W. Ferguson, F. Hamann, Gary J. Ferland

Physics and Astronomy Faculty Publications

This paper describes the techniques that we have used to incorporate a large-scale model of the Fe+ ion and resulting Fe IIemission into CLOUDY, a spectral synthesis code designed to simulate conditions within a plasma and model the resulting spectrum. We describe the numerical methods we use to determine the level populations, mutual line overlap fluorescence, collisional effects, and the heating-cooling effects of the atom on its environment. As currently implemented, the atom includes the lowest 371 levels (up to 11.6 eV) and predicts intensities of 68,635 lines. We describe our data sources, which include the most recent transition …


Leading Charm In Hadron-Nucleus Interactions In The Intrinsic Charm Model, Thomas D. Gutierrez, R. Vogt Jan 1999

Leading Charm In Hadron-Nucleus Interactions In The Intrinsic Charm Model, Thomas D. Gutierrez, R. Vogt

Physics

Leading charm hadrons produced in hadron-nucleus interactions cannot be adequately described within the parton fusion model. Recent results on charm baryon production in ∑-A interactions at 330 GeV with the WA89 detector disagree with fusion predictions. Intrinsic heavy quark pairs in the ∑- (dds) wavefunction provide a simple mechanism for producing fast charm hadrons. We calculate leading charm baryon production from ∑-, ∏- and p projectiles in a two component model combining parton fusion with intrinsic charm. Final state D-, ∑ncn0, ≡ncn+, and ∧ncn+ dσ/dxnF …


Digital Signal Propagation In Dispersive Media., P. M. Jordan, Ashok Puri Jan 1999

Digital Signal Propagation In Dispersive Media., P. M. Jordan, Ashok Puri

Physics Faculty Publications

In this article, the propagation of digital and analog signals through media which, in general, are both dissipative and dispersive is modeled using the one-dimensional telegraph equation. Input signals are represented using impulsive, Heaviside unit step, Gaussian, rectangular pulse, and both unmodulated and modulated sinusoidal pulse type boundary data. Applications to coaxial transmission lines and freshwater signal propagation, for both digital and analog signals, are included. The analysis presented here supports the finding that digital transmission in dispersive media is generally superior to that of analog. The boundary data (input signals) give rise to solutions of the telegraph equation which …


Does N-2(-) Exist? A Coupled-Cluster Study, Gennady L. Gutsev, Piotr B. Rozyczko, Rodney J. Bartlett, Charles A. Weatherford Jan 1999

Does N-2(-) Exist? A Coupled-Cluster Study, Gennady L. Gutsev, Piotr B. Rozyczko, Rodney J. Bartlett, Charles A. Weatherford

Physics Publications

Potential energy curves of the ground-state N2 molecule and its doublet N−2 anion are calculated at the coupled-cluster level with single and double excitations and with noniterative triples [CCSD(T)] as well as with the multireference averaged-quadratic coupled-cluster (MR-AQCC) method. The N−2 anion is shown to be temporary and decays to its neutral parent plus a free electron at bond lengths shorter than ≈1.4 and larger than ≈2.5 Å. Thus, the N−2 anion exists within the 1.4⩽R(N–N)⩽2.5 Å range at the Born–Oppenheimer approximation.