Work

Exact Potential Driving the Electron Dynamics in Enhanced Ionization of H2+

Year: 2015

Type: article

Abstract: It was recently shown that the exact factorization of the electron-nuclear wave function allows the construction of a Schrödinger equation for the electronic system, in which the potential contains exactly the effect of coupling to the nuclear degrees of freedom and any external fields. Here we study the exact potential acting on the electron in charge-resonance enhanced ionization in a model one-dimensional H(2)(+) molecule. We show there can be significant differences between the exact potential and that used in the traditional quasistatic analyses, arising from nonadiabatic coupling to the nuclear system, and that these are crucial to include for accurate simulations of time-resolved ionization dynamics and predictions of the ionization yield.

Source: Physical Review Letters

DOI: 10.1103/physrevlett.115.263002

Authors: Elham Khosravi, Ali Abedi, Neepa T. Maitra

Institutions: University of the Basque Country, City University of New York, Hunter College, European Theoretical Spectroscopy Facility, Material Physics Center

Language: Latvian

Topic: Laser-Matter Interactions and Applications

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

Funders: National Science Foundation, U.S. Department of Energy, European Research Council

Awards: Extending the Usefulness of Time-Dependent Density Functional Theory: Dynamics, Excitations, and Coupling to Ions, ELECTRON-ION DYNAMICS WITH TIME-DEPENDENT DENSITY FUNCTIONAL THEORY: TOWARDS PREDICTIVE SOLAR CELL MODELING, G5149178548