Electron and Energy Transfer Dynamics in Homogeneous and Inhomogeneous Environments

Abstract

The PI's current AFOSR/PECASE grant (FA9950-13-1-0157, 2013-2018) has resulted in 26 publications with a direct impact on the field of electronic relaxation, especially electron and energy transfer in solution and at metal surfaces. For the case of chemical dynamics in solution, the PI has made significant strides in developing a simple and reliable surfacehopping picture for photoexcited dynamics, whereby one can model nuclear vibrations stochastically (depending on the instantaneous charge state). The PI has shown that this intuitive picture of photochemistry can be justified by comparison with the quantum-classical Liouville equation, with the proviso that decoherence is correctly taken into account.

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Document Details

Document Type
Technical Report
Publication Date
Jun 27, 2018
Accession Number
AD1058974

Entities

People

  • Joseph E Subotnik

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Absorption Spectra
  • Air Force Research Laboratories
  • Chemical Kinetics
  • Chemical Reactions
  • Chemistry
  • Computational Science
  • Electron Transfer
  • Electrons
  • Energy
  • Energy Transfer
  • Equations
  • Liouville Equation
  • Molecular Dynamics
  • Physical Chemistry
  • Physics
  • Standards
  • Trajectories

Fields of Study

  • Physics

Readers

  • Computational Modeling and Simulation
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.

Technology Areas

  • Microelectronics
  • Quantum Computing
  • Quantum Science - Quantum Dots