Atomic, Molecular and Optical Physics Commons^™

Ground State Of Trans-Polyacetylene And The Peierls Mechanism - Errata, J. Ashkenazi, W. E. Pickett, H. Krakauer, C. S. Wang, B. M. Klein, S. R. Chubb

Physics Articles and Papers

Errata to Original Article: J. Ashkenazi, W. E. Pickett, H. Krakauer, C. S. Wang, B. M. Klein, and S. R. Chubb, Ground state of trans-polyacetylene and the Peierls mechanism, Physical Review Letters, 62, 2016 (1989).

Ground State Of Trans-Polyacetylene And The Peierls Mechanism, J. Ashkenazi, W. E. Pickett, H. Krakauer, C. S. Wang, B. M. Klein, S. R. Chubb

Physics Articles and Papers

It is shown formally that the Peierls expression is inadequate for studying the instabilities of a physically realizable one-dimensional chain of atoms, due to the long-range nature of the Coulomb interaction. Detailed total-energy studies of trans-polyacetylene, for both suggested crystal structures (P2₁/n,P2₁/a) and for the one-dimensional chain, establish that no appreciable total-energy minimum occurs for nonzero dimerization amplitude within the local-density approximation. The measured dimerization is discussed within the context of recent models of electron correlation.

Excitations In A Nearly Half-Filled Hubbard Model With U=∞, S. E. Barnes

Physics Articles and Papers

It is shown that, even near half filling, the elementary excitations of the large-U Hubbard model form wide bands of width ∼t, the intersite hopping integral, and that the slave-boson-based mean-field approximation is qualitatively wrong in the relevant limit. This large-U limit has no Kondo-type divergences.

Single-Electron Capture And Loss Cross Sections Vs. Target Z For 1 Mev/U Oxygen Ions Incident On Gases, Scott Avery Boman

Masters Theses

Cross sections for 1 MeV/u oxygen projectile ions which have gained or lost an electron after passing through a gas target were measured as a function of target Z for several incident projectile charge states. The targets used were D_2, He, Ne, Ar and Kr, and the projectiles had charges of 5+, 6+, 7+ and 8+.

The electron capture measurements are generally in reasonable agreement with existing theoretical and empirical scaling rules. The electron loss cross sections differ appreciably from predictions of the PWBA, particularly for the heaviest targets studied. Empirical scaling relationships are derived for the present capture …

Alternative Feynman-Diagram Method For The General-Spin Kondo Problem, S. E. Barnes

Physics Articles and Papers

We introduce a new method of replacing spin operators with pseudofermions. For a spin value S there are 2S pseudofermions each of which can have spin ‘‘up’’ or ‘‘down’’. In contrast to the standard Abrikosov method which has 2S+1 inequivalent fermions, i.e., one for each S_z value, the present pairs are all equivalent. It follows that the general spin expression is obtained by multiplying the S=(1/2 result by a ceratin combinational factor. This aids in the construction of rotationally invariant solutions for the general-spin Kondo problem for the case when n≤2S, where n is the number of conduction-electron scattering …

Spin-Exchange Cross Section For Electron Excitation Of Na 3s 3p Determined By A Novel Spectroscopic Technique, Xianming Han, G. W. Schwinn, A. Gallagher

Scholarship and Professional Work - LAS

An experimental technique is described which enables determination of the partial cross sections for electron excitation of atoms as a function of changes in spin and orbital angular momentum. This method provides a good signal-to-noise ratio in the energy region near threshold, and could be used to study long- or short-lived excited states of many atomic systems. Measurements for Na 3S−3P, near-threshold excitation are reported here. The results are generally in good agreement with the close-coupling calculations of D. L. Moores and D. W. Norcross [J. Phys. B 5, 1482 (1972)] for the largest ΔmS and ΔmL components of …

The Spectroscopy And Molecular Dynamics Of The High Frequency Ν1 6 Intermolecular Vibrations In Hcn‐‐‐Hf And Dcn‐‐‐Df, B. A. Wofford, M. W. Jackson, Shannon Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

Gas phase rovibrational analysis of the high frequency intermolecular hydrogen bonded bending overtone 2ν⁰ ₆ [ν₀=1132.4783(2) cm^{− 1}] in HCN‐‐‐HF and its corresponding perdeuterated fundamental ν¹ ₆ [ν₀=409.1660(2) cm^{− 1}] are reported. Evaluated rovibrational parameters provide the basis for quantitative modeling of the molecular dynamics associated with this vibration. A quantum mechanical calculation permits determination of the quadratic and quartic force constants K _{6 6}=537(17) and K _{6 6 6 6}=4.98(12) cm^{− 1} which in turn are used to estimate the pertinent cubic band stretching interaction constants …

Erratum: Determination Of Dissociation Energies And Thermal Functions Of Hydrogen Bond Formation Using High Resolution Ftir Spectroscopy [J. Chem. Phys. 8 7, 5674 (1987)], B. A. Wofford, M. E. Eliades, Shannon Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

Erratum

A Study Of Ion Implanted Silicon Using Rutherford Backscattering Spectroscopy With Ion Channeling, Thomas J. Pollock

Masters Theses

Rutherford Backscattering Spectroscopy with channeling is the only nondestructive method for analyzing crystals which have been ion implanted. An RBS with channeling procedure has been established at the Accelerator Lab of Western Michigan University. It utilizes a tandem Van de Graaff accelerator for an incident helium beam, a goniometer for crystal alignment, and a computer for experimental control and data aquisition. State of the art measurements can be made with accuracies comparable to other labs. Specifically, ion implanted silicon was studied wherein crystal damage due to implanting was found to vary directly with implanting energy and fluence and was also …

Reduced-Mass Fock-Tani Representations For A+ + (B+C-) --> (A+C-) + B+ And First-Order Results For {Abc} = {Ppe, Epe, Μpμ, Μdμ, And Μtμ}, Jack C. Straton

Physics Faculty Publications and Presentations

The Fock-Tani transformation in the Jacobi three ⟶ two-body reduced-mass system is carried out and the first-order T matrix is found to be identical to that for the full three-body transformation. The Fock-Tani transformation in the reduced-mass system in which particle b is fixed at the origin is found to give a first-order T matrix with an error of m_c /m_b in the initial momentum wave function. First-order differential and total cross sections are calculated for a⁺ + (b⁺c^-)⟶(a⁺c^-) + b⁺ where |abc|= { …

Fourier Transform Of The Product Of N One-Center Hydrogenic Orbitals, Jack C. Straton

Physics Faculty Publications and Presentations

Integrating the radial part of the Fourier transform of the product of N hydrogenic orbitals results in an associated Legendre function that can be reduced to a finite series of elementary functions. This transform is found to depend on a polynomial in the wave vector k divided by a binomial in k² raised to a power that is the sum of principle quantum numbers. This form facilitates the analytical reduction of integrals arising from orthogonalization corrections in atomic processes. Transforms for the product of orbital pairs (1s,1s) through (1s,3d) are given …

Electron Paramagnetic Resonance Of Gd3+ Ions In The Superconductor Gdba2Cu3OX, F. Mehran, S. E. Barnes, C. C. Tsuei, T. R. Mcguire

Physics Articles and Papers

EPR from Gd³⁺ ions in the high-T_c≃90 K superconductor GdBa₂Cu₃O_x is reported. The temperature dependence of the linewidth and intensity of the Gd³⁺ ions in the vicinity of T_c are related to the corresponding characteristics of the Cu²⁺ ions.

Observation Of Al2O3: Cr3+ Magnetic Resonance Via Solitons In Long Josephson Junctions, F. Mehran, S. E. Barnes, C. C. Chi, R. L. Sandstrom, C. P. Umbach

Physics Articles and Papers

We have detected the zero-field electron-spin resonance signal of Al₂O₃ with ∼1000 ppm Cr³⁺ using an edge Josephson junction. The sample comprises the substrate upon which the junction was fabricated and the coupling to the electron-spin resonance is via the solitons which exist in these "long" devices.

Determination Of Dissociation Energies And Thermal Functions Of Hydrogen‐Bond Formation Using High Resolution Ftir Spectroscopy, B. A. Wofford, M. E. Eliades, Shannon Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

A technique which employs high resolution Fourier transform infrared spectroscopy is demonstrated for evaluation of hydrogen bonddissociation energiesD ₀ and D _e . Results for HCN‐‐HF give a D ₀=20.77(22) and D _e =28.77(45) kJ/mol which are compared with previously determined values obtained from microwave absolute intensity measurements and a b i n i t i o molecular orbital calculations. Rovibrational band information available for HCN‐‐HF also permits evaluation of thermal functions of dimer formation in kJ/mol: ΔU ^○ _298.2 =20.1(2), ΔH ^○ _298.2 =22.6(2), ΔG ^○ _298.2 =59.4(2), ΔS ^○ _298.2 =−0.1235.

Molecular Dynamics In Hydrogen‐Bonded Interactions: A Preliminary Experimentally Determined Harmonic Stretching Force Field For Hcn‐‐‐Hf, B. A. Wofford, Shannon Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

Observation of the 2ν₁ overtone band in the hydrogen‐bonded complex HCN‐‐‐HF permits evaluation of the anharmonicity constant X _{1 1}=−116.9(1) cm^{− 1} and determination of the anharmonicity corrected fundamental frequency ω₁. This information, and available data from previous rovibrational analyses in the common and perdeuterated isotopic species of HCN‐‐‐HF, offer an opportunity for calculation of an approximate stretching harmonic force field. With the assumptions f _{1 2}=f _{2 4}=0.0, the remaining force constants (in mdyn/Å) are evaluated as: f _{1 1}=8.600(20), f _{2 2}=6.228(9), f _{3 3}=19.115(40), f _{4 …}

Temporary Anion States Of Polyatomic Hydrocarbons, Kenneth D. Jordan, Paul Burrow

Paul Burrow Publications

Contents

I. Introduction

II. Electron Transmission Spectroscopy

A. Background

B. Interpretation of Transmission Data

III. Alkenes, Dienes, and Polyenes

A. Ethylene and Alkyl-Substituted Ethylenes

B. Butadiene, Hexatriene, and Octatetraene

C. Other Conjugated Dienes

D. Cyclooctatetraene

E. Nonconjugated Dienes

IV. Alkynes

A. Acetylene and Alkyl-Substituted Acetylenes

B. Cyclic Acetylenes

C. Butadiyne and 2,4-Hexadiyne

V. Aromatic Systems

A. Benzene and Alkyl-Substituted Benzenes

B. Naphthalene, Anthracene, and Tetracene

C. Styrene and cis- and trans-Stilbene

D. Biphenyls

E. Triptycene, Dibenzonorbornadiene, and Related Compounds

VI. Halogen-Containing Compounds

A. Saturated Compounds

B. Unsaturated Compounds

VII. Conclusions

VIII. Acknowledgment

IX. References

X. Bibliography of Studies …

Comment On "Orientation, Alignment, And Hyperfine Effects On Dissociation Of Diatomic Molecules To Open Shell Atoms", Mark D. Havey, Linda L. Vahala

Electrical & Computer Engineering Faculty Publications

A recent paper in this journal [Y. B. Band e t a l., J. Chem. Phys. 8 4, 3762 (1986)] reported parameters describing orientation and alignment produced, in an axial recoil limit, by one photondissociation of diatomic molecules. Reported also were values, applicable to the resonance transitions of the alkali atoms, for orientation and alignment depolarization coefficients. Most of the numerical values reported for the coefficients were incorrect, in some cases by as much as a factor of 2. We report a tabulation of correct depolarization coefficients applicable to the resonance transitions of common alkali isotopes. Further, the coefficients …

Photorefraction In Batio3, Stephen Ducharme

Stephen Ducharme Publications

This thesis summarizes the results of experimental investigations of the photorefractive properties of melt-grown BaTiO₃ single crystals. Three basic photorefractive material properties are studied: (1) the effective density of photorefractive charges, (2) the photoconductivity of the photorefractive charges, and (3) the relative contributions of electron and hole photoconduction. Volume holographic measurement techniques are used: two-beam energy coupling, four-wave mixing, and erasure of volume holograms. The photorefractive properties were altered experimentally by chemically reducing or oxidizing a BaTiO₃ crystal. I have extended the “hopping conduction” model of photorefractive transport to include simultaneous electron and hole photoconduction. The extension of …

Fock-Tani Transformation And A First-Order Theory Of Charge Transfer, P. C. Ojha, M. D. Girardeau, J. D. Gilbert, Jack C. Straton

Physics Faculty Publications and Presentations

A unitary (Fock-Tani) transformation of the second-quantized Hamiltonian breaks the interaction into its component parts, e.g., elastic scattering, inelastic scattering, rearrangement interaction, etc. The interaction for a particular process is ‘‘weaker’’ than the overall interaction; this is reflected in certain orthogonality corrections which appear in a perturbation expansion of the T-matrix element. As a result, the internuclear potential makes a negligible contribution of order m_e/m_p to the first-order amplitude for charge transfer. We find very good agreement with experimental and the best available theoretical results for the total cross section for the reaction p+H(1s)→H(1s)+p for …

Nonadiabatic Theory Of Fine-Structure Branching Cross Sections For Na-He, Na-Ne, And Na-Ar Optical Collisions, Linda L. Vahala, P. S. Julienne, Mark D. Havey

Electrical & Computer Engineering Faculty Publications

The nonadiabatic close-coupled theory of atomic collisions in a radiation field is generalized to include electron spin and is used to consider the weak-field Na–rare-gas (RG) optical collision Na(²S_1/2)+RG+nhν μNa(²P_j)+RG+(n-1)hν. The effects of detuning and incident energy on the branching into the atomic Na 3p²P_3/2 and 3p²P_1/2 states are examined. The cross sections σ(j) are found to have a strong asymmetry between red and blue detuning as well as a complex threshold and resonance structure dependence on energy. A partial cross-section analysis …

Absorption Cross-Sections Of Sodium Diatomic Molecules, Zeng-Shevan Fong

Physics Theses & Dissertations

The absorption cross sections of sodium dimers were studied using a heat pipe over operating in the non-heat-pipe mode. Three wavelength regions were observed. They are in the red, the green-blue, and the near ultraviolet regions. The absorption cross section depends on the wavelength of the incident light. Representative peak values for the v"=0 progression in the red and green-blue regions are 2.59 A sup 2 (average value) and 11.77 A sup 2 (T_ave=624 K). The value for the C greater than X transitions is several tenths A sup 2. The cross sections were measured from absorption spectra …

The Impeachment And Trial Of Secretary Of War William Worth Belknap, Duane Edward Holthof

Masters Theses

The purpose of this thesis is to give an account of the events which lead to the resignation of Secretary of War William Worth Belknap in 1876, to examine the circumstances surrounding his impeachment, and to study the testimony in his Senate trial.

Although Belknap was not convicted on charges of accepting bribes, most of those senators who voted to acquit him did so on the technical ground that the Senate lacked the jurisdiction to try a private citizen. The evidence in the case clearly indicated Belknap's involvement, and there seems little doubt that if Belknap did not know what …

Construction And Testing Of A New Atomic Physics Beam Line At The Western Michigan University Accelerator Laboratory, William Andrew Hollerman

Masters Theses

A new beam line containing a differentially-pumped gas cell and charge state analyzing magnet was constructed for the purpose of measuring a wide variety of atomic inner-shell processes, such as excitation, ionization, and charge transfer. The completed system will be able to measure these individual atomic processes using coincidence techniques. Initial testing of the beam line was performed using 40MeV S⁺⁷+Ar collisions to determine the effect of the collimating slit size on the measured x-ray cross sections. These measurements showed that the slip size on the measured x-ray cross sections. These measurements showed that the slit size affects …

Safety Evaluation Report Related To The Renewal Of The Operating License For The Triga Training And Research Reactor At The University Of Utah, United States Nuclear Regulatory Commission, Office Of Nuclear Reactor Regulations

Radioactive Materials

This Safety Evaluation Report for the application filed by the University of Utah (UU) for a renewal of operating license R-126 to continue to operate a training and research reactor facility has been prepared by the Office of Nuclear Reactor Regulation of the U.S. Nuclear Regulatory Commission. The facility is owned and operated by the University of Utah and is located on its campus in Salt Lake City, Salt Lake County, Utah. The staff concludes that this training reactor facility can continue to be operated by UU without endangering the health and safety of the public.

Partial Radiative Recombination Cross Sections For Excited States Of Hydrogen, Patricia M. Fazio

Physics Theses & Dissertations

In calculating the radiative recombination cross sections for interstellar H II regions usually only the electric dipole term in the expansion of the interaction Hamiltonian is kept. However, conditions present in these regions permit recombination into highly excited states and the "effective size" of the atom is not much less than the wavelength of the emitted photon. These physical conditions do not meet the requirements for making the dipole approximation. A higher order approximation is to keep an additional term in the expansion of the Hamiltonian, and, therefore, to include contributions of quadrupole transitions in the calculation of the partial …

A Theoretical Model For Calculation Of Molecular Stopping Power, Yuan-Jian Xu

Physics Theses & Dissertations

A modified local plasma model based on the work of Linhard-Winther, Bethe, Brown, and Walske is established. The Gordon-Kim's molecular charged density model is employed to obtain a formula to evaluate the stopping power of many useful molecular systems. The stopping power of H₂ and He gas was calculated for incident proton energy ranging from 100 KeV to 2.5 MeV. The stopping power of O₂, N₂ and water vapor was also calculated for incident proton energy ranging from 40 keV to 2.5 MeV. Good agreement with experimental data was obtained.

A discussion of molecular effects leading …

Systematic Estimate Of Binding Energies Of Weakly Bound Diatomic Molecules, Linda L. Vahala, Mark D. Havey

Electrical & Computer Engineering Faculty Publications

There is often insufficient spectroscopic data for a full RKR inversion to yield a potential for weakly bound diatomic molecules. In these cases, parametrized functions such as the Morse or Thakkar potentials may be used to obtain estimates of the binding energy. The Thakkar potential is more flexible, and has been used successfully on some weakly bound systems. In the more usual case, the Thakkar parameter p, which determines long range behavior R^-p, is chosen by p=-a₁-1, where a₁ is the first Dunham coefficient; p is usually noninteger. The authors present …

Non-Equilibrium L-Shell Effects On K-Shell X Rays For 20-54 Mev S+C Collisions, Donald Solon Shippy

Masters Theses

Projectile K x-ray yields have been measured as a function of target thickness (2.0-150 μg/ cm²⁾ for 20-54 MeV S^q+ ions incident on this carbon foils using the WMU EN tandem Van de Graaff accelerator. The measured K x-ray yields were fond to increase for thicknesses < 15 μg/cm² and decease for thicknesses > 15 μg/cm² . The increasing yield is attributed to L-Shell non-equilibrium as the ion traverses the foil, while the decreasing yield is attributed to K-shell non-equilibrium. Analysis of the data was performed by modifying the "two-component" model of Betz et al. to include the effect of …

Close-Coupling Calculations For Naar, Nane, And Nahe, Linda Lindroth Vahala

Physics Theses & Dissertations

The non-adiabatic close-coupled theory, developed by Mies and by George, is employed in a time-independent molecular calculation for Na-rare gas collisions in a radiations field. The intensity of the Na D1/D2 lines is calculated for both blue- and red-wing excitation and is in good agreement with the experimental results of Havey, Copeland, and Wang for NaAr. The effects of different Born-Oppenheimer potentials on D1/D2 line intensity is considered by also treating NaNe and NaHe. The individual parity contributions to the line intensities are significantly different from each other.

Collision-Induced Bands Of Lithium-Rare Gas Molecules, Wen Jong Wang

Physics Theses & Dissertations

Lithium vapor is optically excited by two-step laser excitation of the 3d state in the presence of the rare gases He, Ne, Ar, Kr, and Xe. Collision induced bands are observed in Li-Ar, Li-Kr, and Li-Xe mixtures. The bands are believed to be due to transitions to the dissociating 2s~ ground state from states above the 2p state of the Li-RG molecules. The Li-Ar, Li-Kr, and Li-Xe 3sб -2sб collision induced bands are progressively shifted, for the heavier rare gases, further to the red of the asymptotic atomic Li 3s-2s energy difference. A qualitative comparison is made between the spectra …