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On The Size Distribution Of Newly Formed Grains In Red Supergiant Atmospheres, C Gregory Seab, Theodore P. Snow Jan 1989

On The Size Distribution Of Newly Formed Grains In Red Supergiant Atmospheres, C Gregory Seab, Theodore P. Snow

Physics Faculty Publications

Theoretical ultraviolet extinction curves have been calculated for comparison with observed curves for circumstellar dust in M supergiants. The theoretical curves assumed a silicate grain composition, because silicate grains are expected in the oxygen-rich environments that are observed. Calculations were performed with and without the inclusion of scattering into the beam, with largely similar results. A comparison of the computed curves with the observed ultraviolet extinction curve for circumstellar dust in Scorpii indicates that the size distribution of the circumstellar grains must cut off near 800 Å that is, there are few or no grains smaller than this. Our conclusion …


Predicting Peculiar Interstellar Extinction From Gaseous Abundances, Charles L. Joseph, Theodore P. Snow, C Gregory Seab Jan 1989

Predicting Peculiar Interstellar Extinction From Gaseous Abundances, Charles L. Joseph, Theodore P. Snow, C Gregory Seab

Physics Faculty Publications

Molecular and atomic abundances are examined for 19 lines of sight through dense clouds, each with a peculiar selective extinction curve. The interstellar clouds in the present study appear to fall into two distinct categories: CN-rich, with relatively small amounts of neutral iron, or CN-poor, with large amounts of neutral iron. Lines of sight, having a CN/(Fe i) abundance ratio about two (~ 0.3 dex) or greater, are found to have a shallow (2.57 ± 0.55 mag) 2175 Å feature relative to the underlying extinction, while the strength of the bump is 3.60 ± 0.36 for the other dense clouds …


Three-Body Interactions In Proton-Helium Angular Scattering, R. Dörner, J. Ullrich, H. Schmidt-Böcking, Ronald E. Olson Jan 1989

Three-Body Interactions In Proton-Helium Angular Scattering, R. Dörner, J. Ullrich, H. Schmidt-Böcking, Ronald E. Olson

Physics Faculty Research & Creative Works

H++He scattering at 0.5 MeV has been investigated using a coincidence technique that completely determines the three-body transverse momentum exchange in single ionization collisions. Three scattering regions could be distinctly recognized that are dominated by proton"helium-nucleus, proton-electron, or electron"helium-nucleus interactions. Calculations and the experimental data show that the coupling between the electronic and nuclear degrees of freedom is required to understand the dynamics for more than 97% of the ionizing collisions. © 1989 The American Physical Society.


Nanosecond Optical Quenching Of Photoconductivity In A Bulk Gaas Switch, M. S. Mazzola, K. H. Schoenbach, V. K. Lakdawala, S. T. Ko Jan 1989

Nanosecond Optical Quenching Of Photoconductivity In A Bulk Gaas Switch, M. S. Mazzola, K. H. Schoenbach, V. K. Lakdawala, S. T. Ko

Electrical & Computer Engineering Faculty Publications

Persistent photoconductivity in copper-compensated, silicon-doped semi-insulating gallium arsenide with a time constant as large as 30 µs has been excited by sub-band-gap laser radiation of photon energy greater than 1 eV. This photoconductivity has been quenched on a nanosecond time scale by laser radiation of photon energy less than 1 eV. The proven ability to turn the switch conductance on and off on command, and to scale the switch to high power could make this semiconductor material the basis of an optically controlled pulsed-power closing and opening switch.


Specific Heat Of Pure And Thoriated Ube13 At Low Temperatures In High Magnetic Fields, M. J. Graf, Nathanael A. Fortune, J. S. Brooks, J. L. Smith, Z. Fisk Jan 1989

Specific Heat Of Pure And Thoriated Ube13 At Low Temperatures In High Magnetic Fields, M. J. Graf, Nathanael A. Fortune, J. S. Brooks, J. L. Smith, Z. Fisk

Physics: Faculty Publications

We have measured the specific heat of pure and thoriated (3.3% thorium) UBe13 in the temperature interval 0.3 1.8 K in applied magnetic fields up to 20 T, and find striking qualitative differences between the two systems. For pure UBe13 the electronic coefficient of specific heat el(=Cel(T)/T) is noticeably suppressed by a field of 20 T at 1.8 K; below 1 K, however, this reduction from the low-field, normal-state value tends to zero. For the 3.3% thoriated sample, the high-temperature value of el is relatively insensitive to strong magnetic fields, but at lower temperatures the suppression of el becomes much …


Static And Dynamic Scaling Relationships In The Light Scattering Properties Of Polystyrenes In Good Solvents, Mamta Bhatt, Alexander M. Jamieson, Rolfe G. Petschek Jan 1989

Static And Dynamic Scaling Relationships In The Light Scattering Properties Of Polystyrenes In Good Solvents, Mamta Bhatt, Alexander M. Jamieson, Rolfe G. Petschek

Faculty Scholarship

Static light scattering measurements are reported on narrow molecular weight distribution polystyrenes (Mw = 3.84 × 106) in the four good solvents, ethylbenzene, benzene, toluene, and tetrahydrofuran at 25°C. These data are plotted in a "scaling" form to directly compare the equilibrium structure factor of identical polystyrene samples in the different solvent systems. The results in tetrahydrofuran are clearly distinct from those in the aromatic solvents and apparently suggest that THF is a thermodynamically better solvent. These distinctions between our results for identical, high molecular weight polymer samples in different good solvents demonstrate that these molecular weights are not high …


N, L Distributions For Electron-Capture From H(1s) By C⁶⁺And O8+, Ronald E. Olson, D. R. Schultz Jan 1989

N, L Distributions For Electron-Capture From H(1s) By C⁶⁺And O8+, Ronald E. Olson, D. R. Schultz

Physics Faculty Research & Creative Works

Total cross sections for electron-capture from the ground state of hydrogen by C6+(40, 50, 60, 80, 100 and 120 keV/u) and O8+(40, 50, 60, 80, 100, 120 and 140keV/u) have been calculated using the classical-trajectory Monte Carlo (CTMC) technique. We tabulate these cross sections as a function of projectile energy for (i) capture to all product states, (ii) capture to product n-levels, and (iii) capture to product n, l-levels. The results of these calculations agree with and extend previous CTMC n, ldistribution results. © 1989 IOP Publishing Ltd.


Multiple-Ionization Collision Dynamics, R. (Ronald) E. Olson, J. Ullrich, H. Schmidt-Böcking Jan 1989

Multiple-Ionization Collision Dynamics, R. (Ronald) E. Olson, J. Ullrich, H. Schmidt-Böcking

Physics Faculty Research & Creative Works

The 1.4-MeV/u U32++Ne collision system is studied in detail in order to elucidate the dynamics of multiple ionization in energetic, heavy-ion atom collisions. Differential cross sections versus recoil-ion charge state, calculated by the n-body classical-trajectory Monte Carlo method, are presented for the and cphi angle dependences of the projectile, recoil ion, and ejected electrons. The calculations show a high degree of ejected-electron asymmetry towards the projectile side of the target nucleus which strongly effects the transverse-momentum balance between the heavy particles. Experimental and calculated cross sections differential in the recoil-ion charge state and transverse momentum are found to …


Classical Two-Center Effects In Ejected-Electron Spectra From P+, P-, And He2++He Collisions At Intermediate Energies, C. O. Reinhold, Ronald E. Olson Jan 1989

Classical Two-Center Effects In Ejected-Electron Spectra From P+, P-, And He2++He Collisions At Intermediate Energies, C. O. Reinhold, Ronald E. Olson

Physics Faculty Research & Creative Works

Doubly and singly differential cross sections for electron emission have been calculated by means of the classical trajectory Monte Carlo method for the p+, p-, and He2++He systems at impact energies of 50 and 100 keV/amu. The calculations for the p+ and He2++He systems exhibit the capture to the continuum peak and agree in both shape and magnitude with experimental data. Analysis of the classical trajectories has helped to understand the dynamical formation of this peak. The dependence of the cross sections on the projectile charge (-1, +1, and +2) is analyzed and …


Gaas Photoconductive Closing Switches With High Dark Resistance And Microsecond Conductivity Decay, M. S. Mazzola, K. H. Schoenbach, V. K. Lakdawala, R. Germer, G. M. Loubriel, F. J. Zutavern Jan 1989

Gaas Photoconductive Closing Switches With High Dark Resistance And Microsecond Conductivity Decay, M. S. Mazzola, K. H. Schoenbach, V. K. Lakdawala, R. Germer, G. M. Loubriel, F. J. Zutavern

Electrical & Computer Engineering Faculty Publications

Silicon-doped n-type gallium arsenide crystals, compensated with diffused copper, were studied with respect to their application as photoconductive, high-power closing switches. The attractive features of GaAs:Cu switches are their high dark resistivity, their efficient activation with Nd:YAG laser radiation, and their microsecond conductivity decay time constant. In the authors' experiment, electric fields are high as 19 kV/cm were switched, and current densities of up to 10 kA/cm2 were conducted through a closely compensated crystal. At field strengths greater than approximately 10 kV/cm, a voltage `lock-on' effect was observed.


User-Friendly Model For The Energy Distribution Of Electrons From Proton Or Electron Collisions, M. Eugene Rudd Jan 1989

User-Friendly Model For The Energy Distribution Of Electrons From Proton Or Electron Collisions, M. Eugene Rudd

M. Eugene Rudd Publications

A model is presented which gives cross sections (differential in the ejected secondary electron energy) for the ionization of atoms and molecules in proton or electron collisions. The model is in the form of an analytical equation which holds for all primary and secondary energies and for any target gas for which certain parameters are known. The accuracy is estimated to be 15-20%. The model is based on the classical binary encounter model modified to agree with the Bethe theory at high energies and, for proton impact, with the molecular promotion model at low energies. For multi-shell targets, the partial …


The Coupling Of Stimulated Raman And Brillouin Scattering In A Plasma, Donald P. Umstadter, W.B. Mori, C. Joshi Jan 1989

The Coupling Of Stimulated Raman And Brillouin Scattering In A Plasma, Donald P. Umstadter, W.B. Mori, C. Joshi

Donald Umstadter Publications

The observation of an anti-Stokes satellite in the spectrum of light backscattered from a CO2 laser plasma is reported. Its origin is found to be Thomson scattering of the incident light from a counterpropagating mode-coupled plasma wave. The parent electron and ion waves in the mode-coupling process were driven by stimulated Raman and Brillouin backscattering. The parent and daughter plasma waves were detected by ruby laser Thomson scattering. A computer simulation modeling the experiment shows further cascading of the Stokes backscattered light to lower frequencies, apparently a result of its rescattering from another, higher phase velocity, counterpropagating coupled mode. …


Perspectives On The Development Of Track Physics, Robert Katz Jan 1989

Perspectives On The Development Of Track Physics, Robert Katz

Robert Katz Publications

Let me thank all of you for being here, Tony Starace, for having conceived this meeting, and Bob Wood and Matesh Varma, for over 20 years of support without which there would have been no track physics. There are many others to thank: the students, postdoctorates, and senior visitors who actually did all the work, and the many investigators around the world who made measurements that proved to be essential to developing and testing the notions of particle tracks.

This enterprise began when I undertook to rewrite an introductory physics text by Henry Semat to adapt it to a calculus-based …


Robert Katz: A Biographical Sketch, M. Eugene Rudd, John F. Fowler Jan 1989

Robert Katz: A Biographical Sketch, M. Eugene Rudd, John F. Fowler

Robert Katz Publications

Robert Katz was born in 1917 in New York City of Russian- Jewish immigrant parents. He grew up in the Bronx, attended Brooklyn College where he received his B.A. degree in 1937. A year later he was awarded the M.A. degree in physics at Columbia University. During World War II he worked for the Air Force at Wright Field in Ohio. After the war he returned to academia as a graduate student at the University of Illinois, where he earned the Ph.D. degree in physics in 1949. From that year he was a member of the Department of Physics at …


Measured Spectra Of The Hygroscopic Fraction Of Atmospheric Aerosol Particles, Darryl J. Alofs, Donald E. Hagen, Max B. Trueblood Jan 1989

Measured Spectra Of The Hygroscopic Fraction Of Atmospheric Aerosol Particles, Darryl J. Alofs, Donald E. Hagen, Max B. Trueblood

Mechanical and Aerospace Engineering Faculty Research & Creative Works

The Relation between Dry Diameter (Xo) and Critical Supersaturation (Sc) for Atmospheric Submicron Aerosol Particles is Investigated. the Particles Are Passed through an Electrostatic Aerosol Size Classifier, and Then through an Isothermal Haze Chamber. Results Are Reported in Terms of an Apparent Volume Fraction of Soluble Material, Εv, Defined Such that for Particles Composed Only of Ammonium Sulfate and Water Insoluble Compounds, Εv is the Actual Volume Fraction of Soluble Material. the Probability Distribution of Εv is Found to Be Approximately Gaussian in the Εv Range 0.2 to 1.3. the Mean Εv is 0.5, for Electrostatic Aerosol Classifier Settings of …


Snow And Avalanche Physics: Physical Analysis Of Factors Affecting The Stability Of A Seasonal Continental Snowpack, James Frankenfield Jan 1989

Snow And Avalanche Physics: Physical Analysis Of Factors Affecting The Stability Of A Seasonal Continental Snowpack, James Frankenfield

All Graduate Plan B and other Reports, Spring 1920 to Spring 2023

Each section in this paper is intended to be as independent as possible. An attempt has been made to avoid references to other sections, and in particular to equations previously used. Hopefully the reader will not find it necessary to page back and forth very much. Figures and footnotes are numbered separately for each section.

A glossary has been included to assist the reader who is unfamiliar with some of the terms used. It includes entries of a qualitative nature (e.g. 'rime', 'graupel') as well as technical terms (e.g. 'Strouhal number').

The text was prepared using Wordperfect 4.1. Certain symbols …


Space Reactor Arms Control: Overview, Joel R. Primack, Nancy E. Abrams, Steven Aftergood, David W. Hafemeister, Daniel O. Hirsch, Robert Mozley, Oleg F. Prilutsky, Stanislav N. Rodionov, Roald Z. Sagdeev Jan 1989

Space Reactor Arms Control: Overview, Joel R. Primack, Nancy E. Abrams, Steven Aftergood, David W. Hafemeister, Daniel O. Hirsch, Robert Mozley, Oleg F. Prilutsky, Stanislav N. Rodionov, Roald Z. Sagdeev

Physics

Unshielded nuclear reactors provide the lightest and most survivable long-lived sources of electric power available to support military satellites. Restricting their use now, before a new generation of larger space reactors is tested and deployed by the US and USSR, could help prevent an arms race in space. Space nuclear power systems have been used by the United States and the Soviet Union since the 1960s. The Soviet Union has used orbiting nuclear reactors to power more than 30 radar ocean reconnaissance satellites (RORSATs). Two RORSATs have accidentally re-entered and released their radioactivity into the environment, and a third, Cosmos …


A Nonlinear Eigenvalue Problem In Astrophysical Magnetohydrodynamics: Some Properties Of The Spectrum, John A. Adam Jan 1989

A Nonlinear Eigenvalue Problem In Astrophysical Magnetohydrodynamics: Some Properties Of The Spectrum, John A. Adam

Mathematics & Statistics Faculty Publications

The equations of ideal magnetohydrodynamics (MHD) with an external gravitational potential—a ‘‘magnetoatmosphere’’—are examined in detail as a singular nonlinear eigenvalue problem. Properties of the spectrum are discussed with specific emphasis on two systems relevant to solar magnetohydrodynamics. In the absence of a gravitational potential, the system reduces to that of importance in MHD and plasma physics, albeit in a different geometry. This further reduces to a form isomorphic to that derived in the study of plasma oscillations in a cold plasma, Alfvén wave propagation in an inhomogeneous medium, and MHD waves in a sheet pinch. In cylindrical geometry, the relevant …


Pressure Dependence Of Ozone Interference In The Laser Fluorescence Measurement Of Oh In The Atmosphere [Comment], Thomas M. Hard, C. Y. Chan, A. A. Mehrabzadeh, Robert J. O'Brien Jan 1989

Pressure Dependence Of Ozone Interference In The Laser Fluorescence Measurement Of Oh In The Atmosphere [Comment], Thomas M. Hard, C. Y. Chan, A. A. Mehrabzadeh, Robert J. O'Brien

Chemistry Faculty Publications and Presentations

The authors comment on the paper by Shirinzadeh et al. (Applied Optics, vol. 26, p. 2102, 1987). They point out three errors which caused the overprediction of spurious HO data.


Oxidation-Reduction Behavior Of Undoped And Sr-Doped Lamno3 Nonstoichiometry And Defect Structure, J. H. Kuo, Harlan U. Anderson, Don M. Sparlin Jan 1989

Oxidation-Reduction Behavior Of Undoped And Sr-Doped Lamno3 Nonstoichiometry And Defect Structure, J. H. Kuo, Harlan U. Anderson, Don M. Sparlin

Materials Science and Engineering Faculty Research & Creative Works

Undoped and Sr-doped LaMnO3 showed reversible oxidation-reduction behavior. These perovskites can be excess, stoichiometric or deficient in oxygen content depending on the specific conditions. Under very reducing conditions decomposition into new phases occurs. Phase stabilities for these oxides were determined. The results showed that Sr doping caused the LaMnO3 to dissociate at higher oxygen activities than those necessary for undoped LaMnO3. Defect models are proposed to interpret the thermogravimetric results in which metal vacancies are assumed for the oxygen excess condition and oxygen vacancies are assumed for the oxygen deficient condition. Thermodynamic properties were calculated which …


Large-Angle Scattering In Positron-Helium And Positron-Krypton Collisions, D. R. Schultz, C. O. Reinhold, Ronald E. Olson Jan 1989

Large-Angle Scattering In Positron-Helium And Positron-Krypton Collisions, D. R. Schultz, C. O. Reinhold, Ronald E. Olson

Physics Faculty Research & Creative Works

We have calculated differential cross sections as a function of the projectile scattering angle for positron-helium and positron-krypton collisions using the classical-trajectory Monte Carlo technique. These intermediate- velocity collisions have been simulated by various independent-electron and n-electron models, using both screened Coulomb and quantum model potentials to approximate the effects of electron-electron interactions. These several models all indicate that scattering of positrons to large angles in ionizing collisions persists to high impact velocities. In a previous work [Phys. Rev. A 38, 1866 (1988)] we proposed that the recent experiments that have measured the total cross section for positronium formation could …


Strong Continuum-Continuum Couplings In The Direct Ionization Of Ar And He Atoms By 6-Mev/U U38+ And Th38+ Projectiles, D. Schneider, D. Dewitt, A. S. Schlachter, Ronald E. Olson, W. G. Graham, J. R. Mowat, R. (Robert) D. Dubois, D. H. Loyd, V. Montemayor, G. Schiwietz Jan 1989

Strong Continuum-Continuum Couplings In The Direct Ionization Of Ar And He Atoms By 6-Mev/U U38+ And Th38+ Projectiles, D. Schneider, D. Dewitt, A. S. Schlachter, Ronald E. Olson, W. G. Graham, J. R. Mowat, R. (Robert) D. Dubois, D. H. Loyd, V. Montemayor, G. Schiwietz

Physics Faculty Research & Creative Works

Doubly differential cross sections have been measured as a function of the electron energy and observation angle for electron emission following collisions of 6-MeV/u U38+ and Th38+ on He and Ar. The electron-emission data show an enhancement at forward angles and a decrease at backward angles with respect to scaled-cross-section results based on the Born approximation. Comparison with classical-trajectory Monte Carlo calculations suggests that the deviation from the Born approximation can be explained by continuum-continuum couplings. By comparing with previously published data, we found that the forward enhancement as well as the backward decrease follow a q/vp (q,vp …


Mössbauer Effect Studies Of Nd₂Fe₁₄₋ₓsiₓb And Y₃Fe₁₄₋ₓsiₓb, Oran Allan Pringle, Gary J. Long, G. K. Marasinghe, William Joseph James, Antoni T. Pedziwiatr, W. E. Wallace, Fernande Grandjean Jan 1989

Mössbauer Effect Studies Of Nd₂Fe₁₄₋ₓsiₓb And Y₃Fe₁₄₋ₓsiₓb, Oran Allan Pringle, Gary J. Long, G. K. Marasinghe, William Joseph James, Antoni T. Pedziwiatr, W. E. Wallace, Fernande Grandjean

Physics Faculty Research & Creative Works

No abstract provided.


Hydrodynamic Forces And Band Formation In Swimming Magnetotactic Bacteria, D. C. Guell, H. Brenners, Richard B. Frankel, H. Hartman Dec 1988

Hydrodynamic Forces And Band Formation In Swimming Magnetotactic Bacteria, D. C. Guell, H. Brenners, Richard B. Frankel, H. Hartman

Physics

Dense suspensions of magnetotactic bacteria form long, thin, stable bands perpendicular to the common, net direction of motion of the cells in a magnetic field. A mechanism for this phenomenon is proposed in which the hydrodynamic coupling between two swimming cells is described in terms of an approximate, far-field solution for the flow around one swimming cell. The calculated hydrodynamic interaction force and torque based upon this analysis are of the correct orders of magnitude and in the right directions to provide a reasonable explanation for band formation and stability.


Microstructure Of Epitaxial Ybba2Cu3O7 Superconducting Films Grown By A New Liquid-Gas-Solidification Technique, C.H. Chen, H.S. Chen, Sy_Hwang Liou Dec 1988

Microstructure Of Epitaxial Ybba2Cu3O7 Superconducting Films Grown By A New Liquid-Gas-Solidification Technique, C.H. Chen, H.S. Chen, Sy_Hwang Liou

Sy-Hwang Liou Publications

We have studied the microstructures of epitaxial YbBa2Cu3O7 superconducting films grown on SrTiO3 [100] and [110] substrates by a new liquid-gas-solidification processing technique. Films grown on SrTiO3 [100] and [110] substrates are epitaxially oriented with [001] and [110] axes normal to the film surface. Twinned domains of ~200 Å in size are observed in the [001] oriented films. Most defects observed can be attributed to the presence of stacking faults along the c axis. The presence of Cu-O bilayer defects is also observed. Rapid oxygen diffusion in the liquid phase is found to …


On The Possibility Of Quasi-Static Convection In The Quiet Magnetotail, Margaret G. Kivelson, Harlan E. Spence Dec 1988

On The Possibility Of Quasi-Static Convection In The Quiet Magnetotail, Margaret G. Kivelson, Harlan E. Spence

Physics & Astronomy

Abstract

The magnetotail is known to serve as a reservoir of energy transferred into the terrestrial magnetosphere from the solar wind. In principle, the stored energy can be dissipated impulsively, as in a substorm, or steadily through the process of steady adiabatic plasma convection. However, some theoretical arguments have suggested that quasi-static adiabatic convection cannot occur throughout the magnetotail because of the structure of the magnetic field. Here we reexamine the question. We show that in a magnetotail of finite width, downtail pressure gradients depend strongly on the ratio of the potential across half the tail to the ion temperature …


Tunneling Characteristics Of Internal Josephson Junctions In Yba2Cu3O7-Δ Thin Films, W.S. Brocklesby, Don Monroe, M. Hong, Sy_Hwang Liou, J. Kwo, G.J. Fisanick, P.M. Mankiewich, R.E. Howard Dec 1988

Tunneling Characteristics Of Internal Josephson Junctions In Yba2Cu3O7-Δ Thin Films, W.S. Brocklesby, Don Monroe, M. Hong, Sy_Hwang Liou, J. Kwo, G.J. Fisanick, P.M. Mankiewich, R.E. Howard

Sy-Hwang Liou Publications

We have measured detailed I-V characteristics of small areas of YBa2Cu3O7-δ films, which exhibit structure associated with individual Josephson junctions within the film. Both hysteretic and nonhysteretic junctions are seen. A simple model relating the voltage steps to the junction properties is developed. The temperature dependence of lc for the hysteretic junctions fits that predicted for quasiparticle tunneling junctions between conventional superconductors.


Cooperative Effects Among Partial Waves In Mie Scattering, James A. Lock Dec 1988

Cooperative Effects Among Partial Waves In Mie Scattering, James A. Lock

Physics Faculty Publications

Observations of an illuminated water droplet at a close distance are described mathematically by the Fourier transform of the Mie-scattering amplitude convolved with the aperture function of the observer’s eye. Most of the sharp enhancements found in the Fourier transform correspond to geometrical rays associated with the various terms in the Debye-series expansion of the Mie amplitude. However, there are some enhancements that cannot be ascribed to any individual Debye-series term. Instead, they arise from a constructive interference cooperation of the phase of a scattering resonance in a single partial wave with the region of the stationary phase corresponding to …


Quasidegenerate Variational Perturbation Theory And The Calculation Of First‐Order Properties From Variational Perturbation Theory Wave Functions, Robert J. Cave, Ernest R. Davidson Dec 1988

Quasidegenerate Variational Perturbation Theory And The Calculation Of First‐Order Properties From Variational Perturbation Theory Wave Functions, Robert J. Cave, Ernest R. Davidson

All HMC Faculty Publications and Research

In previous work on the treatment of correlation in molecular systems we have applied a multireference version of second‐order Hylleraas variational perturbation theory. The choice made for the partitioning of H treated the interactions between the correlating functions to infinite order and gave the corrections to the wave function to first order. The method was shown to be accurate in many cases, but became less so when near degeneracies occurred between the reference energy and other eigenvalues of H0. In this article we introduce an effective Hamiltonian method that is analogous to variational perturbation theory, but which is significantly more …


Nuclear-Spin Relaxation In Molecular Solids With Reorienting Methyl And T-Butyl Groups: The Spectral Density And The State Of The Solid, Peter A. Beckmann, Audrey I. Hill, Ellen B. Kohler, Hong Yu Dec 1988

Nuclear-Spin Relaxation In Molecular Solids With Reorienting Methyl And T-Butyl Groups: The Spectral Density And The State Of The Solid, Peter A. Beckmann, Audrey I. Hill, Ellen B. Kohler, Hong Yu

Physics Faculty Research and Scholarship

There are two solid phases which either have a large hysteresis of at least 90 K, or are both stable below 200 K. The sample melts at 262 K. We interpret the high-temperature phase R-versus-T-1 data with three models. First, we adopt a one-correlation-time model using a Davidson-Cole spectral density which suggests that there is a distribution of correlation times, or, equivalently, a distribution of activation energies for t-butyl and methyl group reorientation. In this case, the methyl and t-butyl reorientation is characterized by a cutoff activation energy of 17±1 kJ/mol which is to be compared with 18±1 kJ/mol in …