Chemistry Scholarly Works: Recent submissions
Now showing items 341-360 of 629
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Generation of circularly polarized multiple high-order harmonic emission from two-color crossed laser beams
(American Physical Society, 1998-10-01)We present a scheme for the production of circularly polarized multiple high-order harmonic generation (HHG). The proposed experimental setup involves the use of two-color laser fields, consisting of a circularly polarized ... -
Generalized Floquet formulation of time-dependent current-density-functional theory
(American Physical Society, 1998-12-01)We present a generalized Floquet formulation of time-dependent current-density-functional theory for nonperturbative treatment of multiphoton processes of many-electron systems in intense monochromatic electric and magnetic ... -
Floquet-Liouville supermatrix approach: Time development of density-matrix operator and multiphoton resonance fluorescence spectra in intense laser fields
(American Physical Society, 1986-03-01)A Floquet-Liouville supermatrix (FLSM) approach is presented for nonperturbative treatment of the time development of the density-matrix operator of atoms and molecules exposed to intense polychromatic fields. By extending ... -
Floquet formulation for the investigation of multiphoton quantum interference in a superconducting qubit driven by a strong ac field
(American Physical Society, 2009-03-03)We present a Floquet treatment of multiphoton quantum interference in a strongly driven superconducting flux qubit. The periodically time-dependent Schrödinger equation can be reduced to an equivalent time-independent ... -
Fast-kick-off monotonically convergent algorithm for searching optimal control fields
(American Physical Society, 2011-09-07)This Rapid Communication presents a fast-kick-off search algorithm for quickly finding optimal control fields in the state-to-state transition probability control problems, especially those with poorly chosen initial control ... -
Structure of the Product from a Novel Cyclization Reaction Involving a C(6)-Substituted Uridine Analog
(International Union of Crystallography, 1993-01-01) -
Octafluorocyclooctatetraene at 238K
(International Union of Crystallography, 1982-01-01) -
Sodium 5,6-Dihydro-2-thiouracil-6-sulfonate Monohydrate
(International Union of Crystallography, 1978-01-01) -
Atomic force microscopy study of the growth and annealing of Ge islands on Si(100)
(American Institute of Physics, 2002-03-01)Atomic force microscopy is used to study the growth and annealing of Ge islands on Si(100) by molecular beam epitaxy. The Ge island shape, size distribution, number density, and spatial distribution under various growth ... -
Subpicosecond radiolysis by means of terawatt laser wakefield accelerator
(Society of Photo-optical Instrumentation Engineers, 2006-02-23)A novel subpicosecond pulse radiolysis experimental system has been developed in Terawatt Ultrafast High Field Facility (TUHFF) at Argonne National Laboratory. TUHFF houses a 20 TW Ti:sapphire laser system that generates ... -
Infrared spectroscopic signatures of (NH4)2SO4 aerosols
(American Geophysical Union, 1996-08-20)Ammonium sulfate particles in air with average diameters ranging from 0.1 to 0.5-μm have been generated by atomizing aqueous solutions of (NH4)2SO4 of various concentrations at ambient temperatures and pressures. The ... -
Water content and morphology of sodium chloride aerosol particles
(American Geophysical Union, 1999-09-20)Sodium chloride droplets with a median diameter of ∼0.4 μm were generated in the laboratory by atomizing an aqueous solution of NaCl under ambient conditions. Infrared extinction spectra of the aerosols under controlled ... -
Initial state‐selected reaction probabilities for OH+H2→H+H2O and photodetachment intensities for HOH− 2
(American Institute of Physics, 1994-09-01)We have used a discrete variable representation (DVR) with absorbing boundary conditions (ABC) to calculate initial state‐selected reaction probabilities and photodetachment intensities. We apply this method to the ... -
On the ‘‘direct’’ calculation of thermal rate constants
(American Institute of Physics, 1995-03-01)We present a new approach for the direct (and correct) calculation of thermal rate constantsk(T) (‘‘direct’’ meaning that one avoids having to solve the state‐to‐state reactive scattering problem, and ‘‘correct’’ meaning ... -
Theoretical calculation of photodetachment intensities for H3O−
(American Institute of Physics, 1996-09-01)We have calculated total and arrangement‐selected photodetachment intensities for the H3O− anion (and its deuterated form, D3O−) using a Green’s function in a discrete variable representation with absorbing boundary ... -
Thermal rate constant calculation using flux–flux autocorrelation functions: Application to Cl+H2→HCl+H reaction
(American Institute of Physics, 1997-08-01)An efficient method was recently introduced by Thompson and Miller [J. Chem. Phys. 106, 142 (1997)] for calculating thermal rate constants using the flux–flux autocorrelation function with absorbing boundary conditions. ... -
On the “direct” calculation of thermal rate constants. II. The flux-flux autocorrelation function with absorbing potentials, with application to the O+HCl→OH+Cl reaction
(American Institute of Physics, 1997-01-01)We present a method for obtaining the thermal rate constant directly (i.e., without first solving the state-to-state reactive scattering problem) from the time integral of the flux-flux autocorrelation function, Cff(t). ... -
Quantum mechanical transition state theory and tunneling corrections
(American Institute of Physics, 1999-01-01)An efficient implementation of the quantum mechanical transition state theory recently proposed by Hansen and Andersen [J. Chem. Phys. 101, 6032 (1994); J. Phys. Chem. 100, 1137 (1996)] is presented. Their method approximates ... -
A Monte Carlo study of spectroscopy in nanoconfined solvents
(American Institute of Physics, 2002-09-26)The absorption and fluorescence spectra of a model diatomic molecule with a charge-transfer electronic transition are simulated. The effect of confining the solvent in which the diatomic molecule is dissolved is examined ... -
A general method for implementing vibrationally adiabatic mixed quantum-classical simulations
(American Institute of Physics, 2003-01-06)An approach for carrying out vibrationally adiabatic mixed quantum-classical molecular dynamics simulations is presented. An appropriate integration scheme is described for the vibrationally adiabatic equations of motion ...