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Chemistry: Recent submissions
Now showing items 761-780 of 964
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Complex-scaling generalized pseudospectral method for quasienergy resonance states in two-center systems: Application to the Floquet study of charge resonance enhanced multiphoton ionization of molecular ions in intense low-frequency laser fields
(American Physical Society, 2000-12-13)We present a complex-scaling generalized pseudospectral method for accurate and efficient treatment of resonance states in two-center molecular systems, involving optimal nonuniform grid discretization of the Hamiltonian ... -
Complex-scaling Fourier-grid Hamiltonian method. III. Oscillatory behavior of complex quasienergies and the stability of negative ions in very intense laser fields
(American Physical Society, 1992-05-01)A complex-scaling Fourier-grid Hamiltonian (CSFGH) method in momentum representation along with Floquet formalism is presented and applied to the nonperturbative treatment of the complex quasienergies of a one-dimensional-model ... -
Collision kernel and interatomic potential
(American Physical Society, 1986-05-01)We present a detailed study of the influence of the form and strength of the interatomic potential on the one-dimensional elastic collision kernel W(v’z,vz), a quantity of interest in the study of the effects of velocity-changing ... -
Coherent control of the electron quantum paths for the generation of single ultrashort attosecond laser pulse
(American Physical Society, 2011-09-15)We report a mechanism and a realizable approach for the coherent control of the generation of an isolated and ultrashort attosecond (as) laser pulse from atoms by optimizing the two-color laser fields with a proper time ... -
Coherent control of atomic spin currents in a double well
(American Physical Society, 2012-02-27)We propose a method for controlling the atomic currents of a two-component Bose-Einstein condensate in a double well by applying an external field to the atoms in one of the potential wells. We study the ground-state ... -
Coherent control and giant enhancement of multiphoton ionization and high-order-harmonic generation driven by intense frequency-comb laser fields: An ab initio theoretical investigation
(American Physical Society, 2013-04-11)We present an ab initio theoretical investigation of the coherent control and significant enhancement of multiphoton ionization (MPI) and high-order-harmonic generation (HHG) of atoms and molecules by means of intense ... -
Approximate dynamical symmetry of hydrogen atoms in circularly polarized microwave fields
(American Physical Society, 1994-12-01)We report the discovery of an integrable three-dimensional Hamiltonian system with a velocity-dependent potential. A two-dimensional restriction of that system is (for low frequencies) a good approximation of the motion ... -
Angular distributions from two-photon detachment of H- near ionization threshold: Laser-frequency and -intensity effects
(American Physical Society, 2002-12-18)We have performed a nonperturbative Floquet study of the angular distributions of the emitted electrons in the two-photon detachment of H- driven by strong infrared laser fields. The external field parameters are chosen ... -
Above-threshold-ionization spectra from the core region of a time-dependent wave packet: An ab initio time-dependent approach
(American Physical Society, 2009-04-27)We present a method for accurate and efficient treatment of the time-dependent Schrödinger equation and electron energy and angular distributions after above-threshold multiphoton ionization. The procedure does not require ... -
Above-threshold multiphoton detachment of H- by two-color laser fields: Angular distributions and partial rates
(American Physical Society, 1995-06-01)We present a general nonperturbative formalism and an efficient and accurate numerical technique for the study of the angular distributions and partial widths for multiphoton above-threshold detachment in two-color fields. ... -
A time-dependent momentum-space density functional theoretical approach for electron transport dynamics in molecular devices
(European Physical Society, 2009-10-27)We propose a time-dependent density functional theoretical (TDDFT) approach in momentum (\mathcal{P} ) space for the study of electron transport in molecular devices under arbitrary biases. The basic equation of motion, ... -
Above-threshold multiphoton detachment from the H- ion by 10.6-μm radiation: Angular distributions and partial widths
(American Physical Society, 1994-11-01)We present a general procedure for accurate nonperturbative treatment of the angular distribution and partial widths for multiphoton above-threshold detachment (ATD) of atoms or negative ions in intense laser fields. The ... -
Ab initio time-dependent density-functional-theory study of the frequency comb structure, coherence, and dephasing of multielectron systems in the vuv-xuv regimes via high-order harmonic generation
(American Physical Society, 2009-06-17)We present an ab initio nonperturbative investigation of the frequency comb structure and coherence within each order of the high-order harmonic generation (HHG) of rare-gas atoms by means of the time-dependent density-functional ... -
Ab initio theoretical investigation of the frequency comb structure and coherence in the vuv-xuv regimes via high-order harmonic generation
(American Physical Society, 2008-03-03)We present a fully ab initio quantum investigation of the frequency comb structure and coherence within each order of the high-order harmonic generation (HHG) spectrum in the high-frequency vuv-xuv regime. The HHG spectrum ... -
Ab initio study of the orientation effects in multiphoton ionization and high-order harmonic generation from the ground and excited electronic states of H2+
(American Physical Society, 2007-10-11)We present an ab initio three-dimensional (3D) calculation of multiphoton ionization (MPI) and high-order harmonic generation (HHG) of the hydrogen molecular ions subject to intense linearly polarized laser pulses. The ... -
Ab initio study of high-order harmonic generation of H2 + in intense laser fields: Time-dependent non-Hermitian Floquet approach
(American Physical Society, 2005-01-13)We present a time-dependent non-Hermitian Floquet approach for the precision three-dimensional nonperturbative calculations of high-order harmonic generation (HHG) rates of the hydrogen molecular ions subject to intense ... -
Ab initio study of high-lying doubly excited states of helium in static electric fields: Complex-scaling generalized pseudospectral method in hyperspherical coordinates
(American Physical Society, 2012-09-21)We present a complex-scaling (CS) generalized pseudospectral (GPS) method in hyperspherical coordinates (HSC) for ab initio and accurate treatment of the resonance energies and autoionization widths of two-electron atomic ... -
Optimization of three-color laser field for the generation of single ultrashort attosecond pulse
(Optical Society of America, 2011-11-09)We present an efficient and realizable scheme for the generation of an ultrashort single attosecond (as) pulse. The feasibility of such a scheme is demonstrated by solving accurately the time-dependent Schrödinger equation ... -
Nonperturbative treatments of level shifts of excited states and high-order harmonic generation in strong fields
(Optical Society of America, 1990-01-01)In this paper we accomplish three goals. First, we present new nonperturbative results of complex quasi-energies (shifts and widths) for several low-lying excited states of atomic H in strong fields, using the L2 non-Hermitian ... -
Two‐photon dissociation of vibrationally excited HD+: The inhomogeneous differential equation approach
(Two‐photon dissociation of vibrationally excited HD+: The inhomogeneous differential equation approach, 1986-01-01)We extend the inhomogenous‐differential‐equation (IDE) approach of Dalgarno and Lewis for a detailed study of two‐photon dissociation (TPD) of HD+ from high vibrational levels of the 1sσ g electronic state. Contrary to the ...