Calculation of Molecular Constants Potential Energy Curves and Franck-Condon Factors for Lead Oxide.

Abstract

This paper deals with the preparation of potential energy curves and Franck-Condon factors for diatomic molecules specifically lead oxide. The starting point for the calculations is the spectroscopic data which can include observations of transitions between rotational, vibrational, and electronic states. Once the data is gathered it can be used to calculate Dunham type coefficients or molecular constants, From these constants the potential energy curve can be calculated by an RKR analysis. From analysis (IPA)the wave functions can be calculated. Finally, Franck-Condon factors can be calculated. Calculations are presented for the diatomic molecule, lead oxide (PBO). Keywords: Chemiluminescence; Vibronic Spectrum; Kinetic mechanism; Flow Tube Reactor; Molecular constants; Potential energy curves.

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Document Details

Document Type
Technical Report
Publication Date
Apr 01, 1985
Accession Number
ADA154521

Entities

People

  • E. A. Dorko

Organizations

  • Air Force Institute of Technology

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Accuracy
  • Air Force
  • Confidence Limits
  • Data Science
  • Diatomic Molecules
  • Energy
  • Energy Levels
  • Equations
  • Experimental Data
  • Frequency
  • Ground State
  • Information Science
  • Lead Oxides
  • Least Squares Method
  • Quantum Numbers
  • Standards
  • Statistical Analysis

Readers

  • Computational Modeling and Simulation
  • Molecular Photonics/Laser Physics

Technology Areas

  • Microelectronics