We present an efficient and accurate grid method for solving the time-dependent Schrodinger equation for an atomic system interacting with an intense laser pulse. Instead of the usual finite difference (FD) method, the radial coordinate is discretized using the discrete variable representation (DVR) constructed from Coulomb wave functions. For an accurate description of the ionization dynamics of atomic systems, the Coulomb wave function discrete variable representation (CWDVR) method needs three to ten times fewer grid points than the FD method. The resultant grid points of the CWDVR are distributed unevenly so that one has a finer grid near the origin and a coarser one at larger distances. The other important advantage of the CWDVR method is that it treats the Coulomb singularity accurately and gives a good representation of continuum wave functions. The time propagation of the wave function is implemented using the well-known Arnoldi method. As examples, the present method is applied to multiphoton ionization of both the H atom and the H(-) ion in intense laser fields. The short-time excitation and ionization dynamics of H by an abruptly introduced static electric field is also investigated. For a wide range of field parameters, ionization rates calculated using the present method are in excellent agreement with those from other accurate theoretical calculations.
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http://dx.doi.org/10.1063/1.2358351 | DOI Listing |
Sci Rep
December 2024
Centro de Investigación en Ciencias-IICBA, Universidad Autónoma del Estado de Morelos, Cuernavaca, CP 62209, México.
The article provides and discusses details of numerical proceeding for the expansion method to calculate energy positions and wave functions of the localized and resonant electronic states emerging in quantum well-type semiconductor nanostructures because of perturbation of confined states by the Coulomb potential of the hydrogenic impurity center. Effective mass approximation is used. Several excited both resonant and non-resonant states are calculated and classified for the case of a simple rectangular GaAs/AlGaAs quantum well.
View Article and Find Full Text PDFMolecules
December 2024
International Research Centre Magtop, Institute of Physics, Polish Academy of Sciences, Aleja Lotników 32/46, PL-02668 Warsaw, Poland.
We present first-principles results on the electronic and magnetic properties of the cubic bulk β-phase of Fe2O3. Given that all Fe-Fe magnetic couplings are expected to be antiferromagnetic within this high-symmetry crystal structure, the system may exhibit some signature of magnetic frustration, making it challenging to identify its magnetic ground state. We have analyzed the possible magnetic phases of the β-phase, among which there are ferrimagnets, altermagnets, and Kramers antiferromagnets.
View Article and Find Full Text PDFJ Chem Phys
December 2024
Department of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark.
Vibrational wave packets are created in the lowest triplet state 13Σu+ of K2 and Rb2 residing on the surface of helium nanodroplets, through non-resonant stimulated impulsive Raman scattering induced by a moderately intense near-infrared laser pulse. A delayed, intense 50-fs laser pulse doubly ionizes the alkali dimers via multiphoton absorption and thereby causes them to Coulomb explode into a pair of alkali ions Ak+. From the kinetic energy distribution P(Ekin) of the Ak+ fragment ions, measured at a large number of delays, we determine the time-dependent internuclear distribution P(R, t), which represents the modulus square of the wave packet within the accuracy of the experiment.
View Article and Find Full Text PDFACS Omega
November 2024
Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China.
We provide a novel exact analytic solution of harmonium with arbitrary Coulomb interaction strength, for ground as well as all the excited states, using our recently developed method for solving Schrödinger equations. By comparing three formally exact analytic representations of the wave function including the one that utilizes biconfluent Heun function, we find that the best and practically useful representation for the ground state is given by an exact factorized form involving a noninteger power pre-exponential factor, an exponentially decaying term and a modulator function. For excited states, additional factors are needed to account for the nodal information.
View Article and Find Full Text PDFWe present high-order harmonic generation (HHG) in laser-produced aluminium and tin plasmas driven by a two-color field with orthogonal polarization, leading to the generation of both odd and even harmonics. We shape the effective drive field with sub-cycle resolution by controlling the phase between the fundamental wave and its second harmonic. The shape of the drive field influences the electron trajectories of the various harmonics generated in these plasmas.
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