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Articles 2191 - 2220 of 2411
Full-Text Articles in Physical Sciences and Mathematics
Scas Officers And Council Members 2003 - 2004
Scas Officers And Council Members 2003 - 2004
Journal of the South Carolina Academy of Science
No abstract provided.
Distributions Of Nobel Metal Pd And Pt In Mesoporous Silica, J. Arbiol, A. Cabot, J. R. Morante, Fanglin Chen, Meilin Liu
Distributions Of Nobel Metal Pd And Pt In Mesoporous Silica, J. Arbiol, A. Cabot, J. R. Morante, Fanglin Chen, Meilin Liu
Faculty Publications
Mesoporous silicananostructures have been synthesized and loaded with Pd and Pt catalytic noble metals. It is found that Pd forms small nanoclusters (3–5 nm) on the surface of the mesoporous structure whereas Pt impregnation results in the inclusion of Pt nanostructures within the silica hexagonal pores (from nanoclusters to nanowires). It is observed that these materials have high catalyticproperties for CO–CH4CO–CH4CO–CH4 combustion, even in a thick film form. In particular, results indicate that the Pt and Pd dispersed in mesoporous silica are catalytically active as a selective filter for gas sensors.
Volcanic Mound Fields On The East Pacific Rise, 16˚-19˚S: Low Effusion Rate Eruptions At Overlapping Spreading Centers For The Past 1 Myr, Scott M. White, Ken C. Macdonald, John Sinton
Volcanic Mound Fields On The East Pacific Rise, 16˚-19˚S: Low Effusion Rate Eruptions At Overlapping Spreading Centers For The Past 1 Myr, Scott M. White, Ken C. Macdonald, John Sinton
Faculty Publications
Volcanic mound fields identified on SeaMARC II and HMR1 12 kHz side-scan data from the southern East Pacific Rise (SEPR) occur near overlapping spreading centers (OSCs) and migration traces of OSCs. The volcanic mound fields appear as a distinctive hummocky seafloor fabric due to side-scan backscatter reflections from clusters of moundshaped reflectors. The lack of growth of the mound fields away from the ridge axis, and their occurrence in association with OSC traces, suggests that mound fields form along the ridge crest near OSCs. Volcanic mound fields are found where 120 kHz side-scan and visual observations find fields of pillow …
Seismic Experiments Target Earthquake-Prone Region In Romania, F Hauser, C Prodehl, M Landes, A Bala, V Raileanu, J Bribach, James H. Knapp, Camelia C. Diaconescu, C Dinu, V Mocanu, W Fielitz, S Harder, G. Randy Keller, E Hegedues, R A. Stephenson
Seismic Experiments Target Earthquake-Prone Region In Romania, F Hauser, C Prodehl, M Landes, A Bala, V Raileanu, J Bribach, James H. Knapp, Camelia C. Diaconescu, C Dinu, V Mocanu, W Fielitz, S Harder, G. Randy Keller, E Hegedues, R A. Stephenson
Faculty Publications
No abstract provided.
An Extension Of Elton's L(1)(N) Theorem To Complex Banach Spaces, S J. Dilworth, Joseph P. Patterson
An Extension Of Elton's L(1)(N) Theorem To Complex Banach Spaces, S J. Dilworth, Joseph P. Patterson
Faculty Publications
No abstract provided.
Correlation Between Volcanic And Tectonic Segmentation Of Fast-Spreading Ridges: Evidence From Volcanic Structures And Lava Flow Morphology On The East Pacific Rise At 9˚-10˚N, Scott M. White, Rachel M. Haymon, D J. Fornari, Michael R. Perfit, Ken C. Macdonald
Correlation Between Volcanic And Tectonic Segmentation Of Fast-Spreading Ridges: Evidence From Volcanic Structures And Lava Flow Morphology On The East Pacific Rise At 9˚-10˚N, Scott M. White, Rachel M. Haymon, D J. Fornari, Michael R. Perfit, Ken C. Macdonald
Faculty Publications
Combined analyses of volcanic features in DSL-120 sonar data and Argo I images along the ridge crest of the East Pacific Rise, 9_090–540N reveal a consistent decrease in inferred lava effusion rate toward the ends of third-order segments. The correlation of tectonic segmentation and volcanic style suggests that third-order segmentation corresponds to the volcanic segmentation of the ridge. Along-axis changes in volcanic structures (from collapse troughs to basaltic lava domes) and lava morphology (from sheet to pillow flows) coincide with the boundaries of morphologically defined third order tectonic segments of the ridge crest visible in shipboard multibeam bathymetry. Pillow lava …
Electronic Transport Through A Nuclear-Spin-Polarization-Induced Quantum Wire, Yuriy V. Pershin Dr, S. N. Shevchenko, I. D. Vagner, P. Wyder
Electronic Transport Through A Nuclear-Spin-Polarization-Induced Quantum Wire, Yuriy V. Pershin Dr, S. N. Shevchenko, I. D. Vagner, P. Wyder
Faculty Publications
Electron transport in a low-dimensional structure—the nuclear-spin-polarization-induced quantum wire is theoretically studied. In the proposed system the local nuclear-spin polarization creates the effective hyperfine field that confines the electrons with the spins opposite to the hyperfine field to the regions of maximal nuclear-spin polarization. The influence of the nuclear-spin relaxation and diffusion on the electron energy spectrum and on the conductance of the quantum wire is calculated and the experimental feasibility is discussed.
Volcanic Eruptions On Mid-Ocean Ridges: New Evidence From The Superfast Spreading East Pacific Rise, 17˚-19˚S, John Sinton, Eric Bergmanis, Ken Rubin, Rodey Batiza, Tracy K P Gregg, Karl Gronvold, Ken C. Macdonald, Scott M. White
Volcanic Eruptions On Mid-Ocean Ridges: New Evidence From The Superfast Spreading East Pacific Rise, 17˚-19˚S, John Sinton, Eric Bergmanis, Ken Rubin, Rodey Batiza, Tracy K P Gregg, Karl Gronvold, Ken C. Macdonald, Scott M. White
Faculty Publications
Side-scan sonar, submersible observations and sampling of lava flows from the East Pacific Rise, 17_–19_S constrain the character and variability of submarine volcanic eruptions along mid-ocean ridges. Nine separate lava sequences were mapped using relative age and lithological contrasts among recovered samples. Axial lengths activated during eruptive episodes range from _1 to >18 km; individual flow field areas vary from <1 to >19 km2. Estimated erupted volumes range from <1 to >200 _ 106 m3. The largest unit is the chemically uniform Animal Farm lava near 18_370S. The youngest lava is the Aldo-Kihi flow field, 17_240–340S, probably erupted in the early 1990s from a …1>1>
Geochemistry Of Atmospheric Aerosols Generated From Lava-Seawater Interactions, Francis J. Sansone, Claudia R. Benitez-Nelson, Joseph A. Resing, Eric H. Decarlo, Sue M. Vink, Jacqueline A. Heath, Barry J. Huebert
Geochemistry Of Atmospheric Aerosols Generated From Lava-Seawater Interactions, Francis J. Sansone, Claudia R. Benitez-Nelson, Joseph A. Resing, Eric H. Decarlo, Sue M. Vink, Jacqueline A. Heath, Barry J. Huebert
Faculty Publications
[1] Trace elements were measured in the aerosol plume produced by lava‐seawater interactions along the shoreline of Kilauea volcano, Hawaii. Plume concentrations were normalized relative to Hawaiian basalt composition and showed a linear log‐log co‐variation with their emanation coefficient (an indicator of element volatility). Normalized aerosol concentrations also consistently covaried with corresponding normalized concentrations in dilute fumarolic gas from Kilauea volcano and fumarolic gas condensates from Kudryavy and Merapi volcanoes, despite different mechanisms of element volatilization. Conservatively estimated regional ocean deposition rates of Cu, Cd, Ni, Pb, Mn, Zn, Fe and P were >50 times background rates. Thus, upper ocean …
De Haas-Van Alphen Oscillations In The Quasi-Two-Dimensional Organic Conductor Κ-(Et)2cu(Ncs)2: The Magnetic Breakdown Approach, V. M. Gvozdikov, Yuriy V. Pershin Dr, E. Steep, A. G. M. Jansen, P. Wyder
De Haas-Van Alphen Oscillations In The Quasi-Two-Dimensional Organic Conductor Κ-(Et)2cu(Ncs)2: The Magnetic Breakdown Approach, V. M. Gvozdikov, Yuriy V. Pershin Dr, E. Steep, A. G. M. Jansen, P. Wyder
Faculty Publications
We present both experimental data and an analytic theory for the de Haas–van Alphen ~dHvA! effect in the two-dimensional organic single-crystal conductor k -(ET)2Cu(NCS)2. We show that the magnetization oscillation pattern and the fast Fourier transform (FFT) spectrum of our measurements are well described theoretically within the coherent magnetic breakdown (MB) model for a two-dimensional Fermi surface consisting of two open sheets and closed pockets connected by magnetic breakdown centers. The spectrum of Landau quantized energy levels changes substantially due to the MB. Landau bands develop whose bandwidth and relative distance between them oscillate in inverse magnetic field. These oscillations …
Anomalous Conductance Distribution In Quasi-One-Dimensional Gold Wires: Possible Violation Of The One-Parameter Scaling Hypothesis, Pritiraj Mohanty, Richard A. Webb
Anomalous Conductance Distribution In Quasi-One-Dimensional Gold Wires: Possible Violation Of The One-Parameter Scaling Hypothesis, Pritiraj Mohanty, Richard A. Webb
Faculty Publications
We report measurements of conductance distribution in a set of quasi-one-dimensional gold wires. The distribution includes the second cumulant or the variance which describes the universal conductance fluctuations, and the third cumulant which denotes the leading deviation. We have observed an asymmetric contribution—or, a nonvanishing third cumulant—contrary to the expectation for quasi-one-dimensional systems in the noninteracting theories in the one-parameter scaling framework, which include the perturbative diagrammatic calculations and the random matrix theory.
A Post-Amadori Inhibitor Pyridoxamine Also Inhibits Chemical Modification Of Proteins By Scavenging Carbonyl Intermediates Of Carbohydrate And Lipid Degradation, Paul A. Voziyan, Thomas O. Metz, John W. Baynes, Billy G. Hudson
A Post-Amadori Inhibitor Pyridoxamine Also Inhibits Chemical Modification Of Proteins By Scavenging Carbonyl Intermediates Of Carbohydrate And Lipid Degradation, Paul A. Voziyan, Thomas O. Metz, John W. Baynes, Billy G. Hudson
Faculty Publications
Reactive carbonyl compounds are formed during autoxidation of carbohydrates and peroxidation of lipids. These compounds are intermediates in the formation of advanced glycation end products (AGE) and advanced lipoxidation end products (ALE) in tissue proteins during aging and in chronic disease. We studied the reaction of carbonyl compounds glyoxal (GO) and glycolaldehyde (GLA) with pyridoxamine (PM), a potent post-Amadori inhibitor of AGE formation in vitro and of development of renal and retinal pathology in diabetic animals. PM reacted rapidly with GO and GLA in neutral, aqueous buffer, forming a Schiff base intermediate that cyclized to a hemiaminal adduct by intramolecular …
Crustal Fissuring On The Crest Of The Southern East Pacific Rise At 17˚15'-40'S, Dawn J. Wright, Rachel M. Haymon, Scott M. White, Ken C. Macdonald
Crustal Fissuring On The Crest Of The Southern East Pacific Rise At 17˚15'-40'S, Dawn J. Wright, Rachel M. Haymon, Scott M. White, Ken C. Macdonald
Faculty Publications
Fissure densities and widths have been mapped along the axial zone of the superfast spreading southern East Pacific Rise (EPR) at 17_150–400S with the near-bottom DSL-120 and Argo II imaging systems. We observe that the youngest lava flows (on a relative age scale) are sparsely fissured and that there is a cumulative increase in fissure abundance with time that produces a strong positive correlation between fissure density and relative age of lava flows. Average fissure widths were used to estimate fissure depths. In the 17_150–400S area, calculated fissure depths are estimated to extend below the seismic layer 2A/2B boundary, and …
Role Of A Phase: Change Moho In Stabilization And Preservation Of The Southern Uralide Orogen, Russia, Camelia C. Diaconescu, James H. Knapp
Role Of A Phase: Change Moho In Stabilization And Preservation Of The Southern Uralide Orogen, Russia, Camelia C. Diaconescu, James H. Knapp
Faculty Publications
Geophysical (URSEIS experiment) and geological data from the Southern Uralides of central Russia provide the basis for a geodynamic model involving eclogitization of the Uralian crustal root in Late Triassic to Early Jurassic time as a mechanism for stabilization and preservation of this Paleozoic orogen. The crustal structure of the orogen implies eastward subduction of the East European continental crust, and balanced restoration implies a significant volume of crust (comprised of ~70% European crust, and ~30% accreted terranes) was carried to sub-Moho depths of up to 70 km. The lack of a clearly defined near-vertical incidence reflection Moho corroborated by …
“[Cu(Pyrazine-2-Carboxylate)2]2Cd4I8: Unprecedented 1-D Serpentine Chains And Regular 2-D Regular Metal-Organic Square Grids In A 3-D Framework., Delia M. Ciurtin, Mark D. Smith, Hans Conrad Zur Loye
“[Cu(Pyrazine-2-Carboxylate)2]2Cd4I8: Unprecedented 1-D Serpentine Chains And Regular 2-D Regular Metal-Organic Square Grids In A 3-D Framework., Delia M. Ciurtin, Mark D. Smith, Hans Conrad Zur Loye
Faculty Publications
A novel three-dimensional coordination polymer containing
an unprecedented one-dimensional serpentine motif conjoined
with a two-dimensional square grid motif is presented.
Development Of Cfl-Free, Explicit Schemes For Multidimensional Advection-Reaction Equations, Hong Wang, Jiangguo Liu
Development Of Cfl-Free, Explicit Schemes For Multidimensional Advection-Reaction Equations, Hong Wang, Jiangguo Liu
Faculty Publications
We combine an Eulerian–Lagrangian approach and multiresolution analysis to develop unconditionally stable, explicit, multilevel methods for multidimensional linear hyperbolic equations. The derived schemes generate accurate numerical solutions even if large time steps are used. Furthermore, these schemes have the capability of carrying out adaptive compression without introducing mass balance error. Computational results are presented to show the strong potential of the numerical methods developed.
Three Unique Coordination Geometries Involving 1,2-Dimethoxy-4,5-Bis(2-Pyridylethynyl)Benzene, Jeffrey E. Fiscus, Sandra Shotwell, Ralph C. Layland, Mark D. Smith, Hans Conrad Zur Loye, Uwe H. F. Bunz
Three Unique Coordination Geometries Involving 1,2-Dimethoxy-4,5-Bis(2-Pyridylethynyl)Benzene, Jeffrey E. Fiscus, Sandra Shotwell, Ralph C. Layland, Mark D. Smith, Hans Conrad Zur Loye, Uwe H. F. Bunz
Faculty Publications
Reaction of the new ligand 1,2-dimethoxy-4,5-bis(2-pyridylethynyl) benzene with different metal centers under similar reaction conditions led to three distinct structure formation processes: molecular ring closure, dimerization, and polymer formation.
Ca4Iro6, Ca3Mgiro6 And Ca3Zniro6, Matthew J. Davis, Mark D. Smith, Hans Conrad Zur Loye
Ca4Iro6, Ca3Mgiro6 And Ca3Zniro6, Matthew J. Davis, Mark D. Smith, Hans Conrad Zur Loye
Faculty Publications
Single crystals of tetracalcium iridium hexaoxide, Ca4IrO6, tricalcium magnesium iridium hexaoxide, Ca3MgIrO6, and tricalcium zinc iridium hexaoxide, Ca3ZnIrO6, were prepared via high-temperature flux growth and structurally characterized by single-crystal X-ray diffraction. The three compounds are isostructural and adopt the K4CdCl6 structure type, comprised of chains of alternating face-shared [CaO6], [MgO6] or [ZnO6] trigonal prisms and [IrO6] octahedra, surrounded by columns of Ca2+ ions.
Formula: Ca4IrO6, Ca3.34Mg0.66IrO6 and …
A Dipolar Coupling Based Strategy For Simultaneous Resonance Assignment And Structure Determination Of Protein Backbones, Fang Tian, Homayoun Valafar, James H. Prestegard
A Dipolar Coupling Based Strategy For Simultaneous Resonance Assignment And Structure Determination Of Protein Backbones, Fang Tian, Homayoun Valafar, James H. Prestegard
Faculty Publications
A new approach for simultaneous protein backbone resonance assignment and structure determination by NMR is introduced. This approach relies on recent advances in high-resolution NMR spectroscopy that allow observation of anisotropic interactions, such as dipolar couplings, from proteins partially aligned in field ordered media. Residual dipolar couplings are used for both geometric information and a filter in the assembly of residues in a sequential manner. Experimental data were collected in less than one week on a small redox protein, rubredoxin, that was 15N enriched but not enriched above 1% natural abundance in 13C. Given the acceleration possible with partial 13C …
Two Different One-Dimensional Structural Motifs In The Same Coordination Polymer: A Novel Interpenetration Of Infinite Ladders By Bundles Of Infinite Chains, Badruz Zaman, Mark D. Smith, Hans Conrad Zur Loye
Two Different One-Dimensional Structural Motifs In The Same Coordination Polymer: A Novel Interpenetration Of Infinite Ladders By Bundles Of Infinite Chains, Badruz Zaman, Mark D. Smith, Hans Conrad Zur Loye
Faculty Publications
A coordination polymer with a novel structural motif
consisting of stacks of infinite ladders interpenetrated by
bundles of infinite chains is described; geometrical arguments
are made for the requirements that can lead to such
interpenetration as a function of ligand dimensions.
Validation Of Land Surface Models Using Satellite-Derived Surface Temperature, Joshua Rhoads, Ralph Dubayah, Dennis Lettenmaier, Greg O'Donnell, Venkataraman Lakshmi
Validation Of Land Surface Models Using Satellite-Derived Surface Temperature, Joshua Rhoads, Ralph Dubayah, Dennis Lettenmaier, Greg O'Donnell, Venkataraman Lakshmi
Faculty Publications
This research examines the feasibility of using remotely sensed surface temperature for validation and updating of land surface hydrologic models. Surface temperature simulated by the Variable Infiltration Capacity (VIC) hydrologie model is compared over the Arkansas-Red River basin with surface temperature retrievals from TOVS and GOES. The results show that modeled and satellite-derived surface temperatures agree well when aggregated in space or time. In particular, monthly mean temperatures agree on the pixel scale, and basin mean temperatures agree instantaneously. At the pixel scale, however, surface temperatures from both satellites were found to have higher spatial and temporal variabilities than the …
Photon Decay At The Schwarzschild Horizon, Brett Altschul, R. Jackiw
Photon Decay At The Schwarzschild Horizon, Brett Altschul, R. Jackiw
Faculty Publications
A recent proposal that gravity theory is an emergent phenomenon also entails the possibility of photon decay near the Schwarzschild event horizon. We present a possible mechanism for such decay, which utilizes a dimensional reduction near the horizon. © 2001 Elsevier Science B.V.
Crystal Growth, Structure Determination And Magnetism Of A New Hexagonal Rhodate: Ba9rh8o24, Katharine E. Stitzer, M. D. Smith, J. Darriet, Hans Conrad Zur Loye
Crystal Growth, Structure Determination And Magnetism Of A New Hexagonal Rhodate: Ba9rh8o24, Katharine E. Stitzer, M. D. Smith, J. Darriet, Hans Conrad Zur Loye
Faculty Publications
Single crystals of Ba9Rh8O24, grown from a molten potassium carbonate flux, crystallize in the spacegroup R¯3c with lattice parameters of a = 10.0899(4) and c = 41.462(2) Å. Magnetic measurements on oriented single crystals reveal the existence of magnetic anisotropy
Shape Imprinting Due To Variable Disulfide Bonds In Polyacrylamide Gels, Andrew B. Greytak, Alexander Y. Grosberg, Toyoichi Tanaka
Shape Imprinting Due To Variable Disulfide Bonds In Polyacrylamide Gels, Andrew B. Greytak, Alexander Y. Grosberg, Toyoichi Tanaka
Faculty Publications
Through the use of variable disulfide crosslinkers, we have created polyacrylamide gels whose shape can be altered after polymerization. N,N'-bisacryloylcystamine is incorporated as a crosslinker, along with a smaller amount of a permanent crosslinker. After polymerization, the disulfide bonds are cleaved into thiols through reduction. By reoxidizing the thiols with the gel held in a new macroscopic shape, a new set of disulfide bonds is formed, and the gel is forced to adopt the new shape. Retension of the new shape improves with greater distortion from the original shape, as well as with increased concentration of variable …
Controls On Floc Size In A Continental Shelf Bottom Boundary Layer, Paul S. Hill, George Voulgaris, John H. Trowbridge
Controls On Floc Size In A Continental Shelf Bottom Boundary Layer, Paul S. Hill, George Voulgaris, John H. Trowbridge
Faculty Publications
Simultaneous in situ observations of floc size, waves, and currents in a continental shelf bottom boundary layer do not support generally accepted functional relationships between turbulence and floc size in the sea. In September and October 1996 and January 1997, two tripods were deployed in 70 m of water on the continental shelf south of Woods Hole, Massachusetts. On one a camera photographed particles in suspension 1.2 m above the bottom that had equivalent circular diameters larger than 250 um, and on the other, three horizontally displaced acoustic current meters measured flow velocity 0.35 m above the bottom. The …
Sr3Znpto6 And Sr3Cdpto6, Mark D. Smith, Hans Conrad Zur Loye
Sr3Znpto6 And Sr3Cdpto6, Mark D. Smith, Hans Conrad Zur Loye
Faculty Publications
The flux synthesis of single crystals of the isostructural compounds tristrontium zinc platinum hexaoxide, Sr3ZnPtO6, and tristrontium cadmium platinum hexaoxide, Sr3CdPtO6, is reported. The compounds adopt the pseudo-one-dimensional rhombohedral K4CdCl6 structure type, and feature chains of face-shared distorted ZnO6 or CdO6 trigonal prisms and PtO6 octahedra, surrounded by columns of Sr2+ ions. All transition metals are located on the threefold axis of symmetry, while the Sr2+ cations lie on twofold axes.
Formula: Sr3ZnPtO6 and Sr3CdPtO6
Bistable Operation Of A Two-Section 1.3-Mm Inas Quantum Dot Laser—Absorption Saturation And The Quantum Confined Stark Effect, Xiaodong Huang, A. Stintz, Hua Li, Audra Rice, G. T. Liu, L.F. Lester, Julian Cheng, K.J. Malloy
Bistable Operation Of A Two-Section 1.3-Mm Inas Quantum Dot Laser—Absorption Saturation And The Quantum Confined Stark Effect, Xiaodong Huang, A. Stintz, Hua Li, Audra Rice, G. T. Liu, L.F. Lester, Julian Cheng, K.J. Malloy
Faculty Publications
Room temperature, continuous-wave bistability was observed in oxide-confined, two-section, 1.3- m quantum-dot (QD) lasers with an integrated intracavity quantum-dot saturable absorber. The origin of the hysteresis and bistability were shown to be due to the nonlinear saturation of the QD absorption and the electroabsorption induced by the quantum confined Stark effect.
Neutrino Reactions On The Deuteron, S. Nakamura, T. Sato, Vladimir Gudkov, K. Kubodera
Neutrino Reactions On The Deuteron, S. Nakamura, T. Sato, Vladimir Gudkov, K. Kubodera
Faculty Publications
The cross sections for the ν-d and ν̅ -d reactions are calculated for incident energy up to Eν=170 MeV with the use of a phenomenological Lagrangian approach. We assess and improve the reliability of the employed calculational method by examining the dependence of the results on various input and approximations that go into the calculation. The main points of improvement over the existing work are (1) use of the “modern” NN potentials, (2) use of the more accurate nucleon weak-interaction form factors, and (3) monitoring the strength of a vertex that governs the exchange-current contribution, with the use …
Diamagnetic Persistent Current In Diffusive Normal-Metal Rings, E. M.Q. Jariwala, P. Mohanty, M. B. Ketchen, Richard A. Webb
Diamagnetic Persistent Current In Diffusive Normal-Metal Rings, E. M.Q. Jariwala, P. Mohanty, M. B. Ketchen, Richard A. Webb
Faculty Publications
We have measured a diamagnetic persistent current with flux periodicities of both h/e and h/2e in an array of thirty diffusive mesoscopic gold rings. At the lowest temperatures, the magnitudes of the currents per ring corresponding to the h/e- and h/2e-periodic responses are both comparable to the Thouless energy Ec≡ħ/τD, where τD is the diffusion time. Taken in conjunction with earlier experiments, our results strongly challenge the conventional theories of persistent current. We consider a new approach associated with the saturation of …
Semiclassical Application Of The MoLler Operators In Reactive Scattering, Sophya Garashchuk, John C. Light
Semiclassical Application Of The MoLler Operators In Reactive Scattering, Sophya Garashchuk, John C. Light
Faculty Publications
Mo\ller operators in the formulation of reaction probabilities in terms of wave packet correlation functions allow us to define the wave packets in the interaction region rather than in the asymptotic region of the potential surface. We combine Mo\ller operators with the semiclassical propagator of Herman and Kluk. This does not involve further approximations and can be used with any initial value representation (IVR) semiclassical propagator. Time propagation in asymptotic regions of the potential due to Mo\ller operators reduces the oscillations of the propagator integrand and improves convergence of the results with respect to the number of trajectories. The effectiveness …