Time-dependent electron localization function

2004/04/30 by Tobias Burnus, T. Burnus, Miguel A. L. Marques +2 · 9 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Laser-Matter Interactions and Applications #Mass Spectrometry Techniques and Applications #physics.chem-ph #physics.comp-ph

paper · pdf · doi:10.1103/physreva.71.010501

published as Phys. Rev. A 71, 010501(R) (2005) · 4 pages, 3 figures; related information (including movies) can be found at http://www.physik.fu-berlin.de/~ag-gross/tdelf/

openalex publication_date 2005/01/10 · arxiv created 2005/01/12 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

We present a generalization of the electron localization function (ELF) that can be used to analyze time-dependent processes. The time-dependent ELF allows the time-resolved observation of the formation, the modulation, and the breaking of chemical bonds, and can thus provide a visual understanding of complex reactions involving the dynamics of excited electrons. We illustrate the usefulness of the time-dependent ELF by two examples: the \ensuremathπ\text\ensuremath-\ensuremathπ* transition induced by a laser field, and the destruction of bonds and formation of lone pairs in a scattering process.

Citations

• Exact Solutions of the Time Dependent Schroedinger Equation in One Space Dimension
• ELF: The Electron Localization Function
• A simple measure of electron localization in atomic and molecular systems

Cited by

• Visualizing intense laser field driven electron dynamics in a multielectron molecule: dynamic electron localization, bonding properties and multiple ionization bursts
• Carbonyl sulphide under strong laser field: Time-dependent density functional theory
• Chemical bonding analysis of excited states using the adaptive natural density partitioning method
• Electron and Nucleon Localization Functions of Oganesson: Approaching the Thomas-Fermi Limit
• Electron localisation in static and time-dependent one-dimensional model systems
• Cluster formation in precompound nuclei in the time-dependent framework
• Quantum Stress Focusing in Descriptive Chemistry
• Axially deformed solution of the Skyrme-Hartree–Fock–Bogoliubov equations using the transformed harmonic oscillator basis (II) hfbtho v2.00d: A new version of the program
• Electron localization function for two-dimensional systems

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