Metastable Autoionizing States of Molecules and Radicals in Highly Energetic Environment

Abstract

The scope of this grant was electronic structure method development targeting electronic states that are metastable with respect to electron detachment and computational studies of fundamental chemical processes involving molecules and radicals in highly excited states. Such metastable electronic states, which lie above the ionization (or electron-detachment) continuum, are called resonances; they are common in energetic environments such as plasma, which is generated in electric arcs, supersonic combustion, fusion reactors, plasma displays, extremely hot flames, lightning, polar aurorae, etc. Plasmas (and, consequently, these metastable states) play an important role in technology. Moreover, the quantum mechanical description of resonances is of fundamental importance on its own it is a prerequisite for understanding chemical dynamics in plasmas and matter in high energy environments.

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Document Details

Document Type
Technical Report
Publication Date
Dec 03, 2019
Accession Number
AD1092454

Entities

People

  • Anna Krylov

Organizations

  • University of Southern California

Tags

Communities of Interest

  • C4I
  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Chemical Kinetics
  • Chemistry
  • Computational Chemistry
  • Computational Chemistry Methods
  • Electronic States
  • Electronic Structure Methods
  • Electrons
  • Ionization
  • Metastable State
  • Molecular Physics
  • Photoelectrons
  • Physical Chemistry
  • Potential Energy
  • Quantum Chemistry
  • Spectroscopy
  • Students
  • Wave Functions

Fields of Study

  • Chemistry
  • Physics

Readers

  • Molecular Photonics/Laser Physics
  • Systems Analysis and Design

Technology Areas

  • Hypersonics
  • Hypersonics - Hypersonic Flight
  • Microelectronics
  • Quantum Computing