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Variational Solutions for Resonances by a Finite-Difference Grid Method.
Molecules
August 2021
Schulich Faculty of Chemistry, Solid State Institute and Faculty of Physics, Technion-Israel Institute of Technology, Haifa 3200003, Israel.
We demonstrate that the finite difference grid method (FDM) can be simply modified to satisfy the variational principle and enable calculations of both real and complex poles of the scattering matrix. These complex poles are known as resonances and provide the energies and inverse lifetimes of the system under study (e.g.
View Article and Find Full Text PDFLow-energy constraints on photoelectron spectra measured from liquid water and aqueous solutions.
Phys Chem Chem Phys
April 2021
Molecular Physics Department, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany.
We report on the effects of electron collision and indirect ionization processes, occurring at photoexcitation and electron kinetic energies well below 30 eV, on the photoemission spectra of liquid water. We show that the nascent photoelectron spectrum and, hence, the inferred electron binding energy can only be accurately determined if electron energies are large enough that cross sections for quasi-elastic scattering processes, such as vibrational excitation, are negligible. Otherwise, quasi-elastic scattering leads to strong, down-to-few-meV kinetic energy scattering losses from the direct photoelectron features, which manifest in severely distorted intrinsic photoelectron peak shapes.
View Article and Find Full Text PDFAutoionization and Dressing of Excited Excitons by Free Carriers in Monolayer WSe_{2}.
Phys Rev Lett
December 2020
Department of Physics, University of Regensburg, Regensburg D-93053, Germany.
We experimentally demonstrate dressing of the excited exciton states by a continuously tunable Fermi sea of free charge carriers in a monolayer semiconductor. It represents an unusual scenario of two-particle excitations of charged excitons previously inaccessible in conventional material systems. We identify excited state trions, accurately determine their binding energies in the zero-density limit for both electron- and hole-doped regimes, and observe emerging many-body phenomena at elevated doping.
View Article and Find Full Text PDFAnalytical Property of Scattering Matrix:Spectroscopy Phenomena and Sharp Overlapping Autoionization Resonances.
Sci Rep
September 2017
Department of Physics and Center for Atomic and Molecular Nanosciences, Tsinghua University, Beijing, 100084, China.
An extended atomic data base with sufficiently high precision is required in astrophysics studies and the energy researches. For example, there are "infinite" energy levels in discrete energy region as well as overlapping resonances in autoionization region. We show in this paper the merits of our relativistic eigenchannel R-matrix method R-R-Eigen based on the analytical continuation properties of scattering matrices for the calculations of the energy levels, overlapping resonances and the related transitions.
View Article and Find Full Text PDFThe role of charge transfer in the stability and reactivity of chemical systems from experimental findings.
Phys Chem Chem Phys
March 2017
Department of Civil and Environmental Engineering, University of Perugia, Via G. Duranti 93, 06125 Perugia, Italy.
A variety of phenomena, of apparently different natures, are described within a unifying picture, by properly isolating the role of charge/electron transfer as an interaction component triggering chemical reactivity. This basic quantity is isolated by analyzing, with advanced theoretical methods developed by our group, experimental findings characterized with different techniques, such as double photo-ionization spectra, scattering cross sections and auto-ionization reaction probabilities. Suitable rationalization of such phenomena appears to be crucial for modeling the selectivity of basic elementary processes occurring in systems at increasing complexity of fundamental/applied interest, such as plasmas, flames, interstellar media, planetary atmospheres and biological environments.
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