Application of Quantum Chemistry of Atmospheric Chemistry.

Abstract

Relativistic effective potentials have been generated for a number of relevant metals such as iron, neodymium, and uranium and applied to calculations of the oxide electronic states including intermediate coupling calculations of the spin-orbit interaction. (Author)

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Document Details

Document Type
Technical Report
Publication Date
Sep 30, 1984
Accession Number
ADA147035

Entities

People

  • M. Krauss
  • W. J. Stevens

Organizations

  • National Institute of Standards and Technology

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Absorption Spectra
  • Air Force
  • Air Force Facilities
  • Atmospheric Chemistry
  • Chemical Compounds
  • Chemistry
  • Couplings
  • Electronic States
  • Elements
  • Ground State
  • Metals
  • Molecular Spectroscopy
  • Quantum Chemistry
  • Quantum Properties
  • Spectra
  • Spectroscopy
  • Spin-Orbit Interaction

Fields of Study

  • Chemistry
  • Physics

Readers

  • Materials Science and Engineering.
  • Molecular Photonics/Laser Physics

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene
  • Quantum Computing
  • Space