Einstein Coefficients for Diatomic Molecules.

Abstract

Reexamination of current semiempirical methods for computing Einstein coefficients for diatomic molecules has resulted in the development of a new technique for predicting infrared transition probabilities. The method uses a nonlinear transformation of existing polynomial dipole expressions with the subsequent application of appropriate boundary conditions to arrive at improved dipole curves. The transition probabilities predicted for HF are found to be in excellent agreement with the available experimental data. With slight variations, the method is applied to DF, HCl, DCl, OH, and OD with comparable success. Preliminary results are given for the transition probabilities for the CO and NO molecules. (Modified author abstract)

Document Details

Document Type
Technical Report
Publication Date
Jan 30, 1974
Accession Number
AD0775159

Entities

People

  • George Emanuel
  • John M. Herbelin

Organizations

  • The Aerospace Corporation

Tags

DTIC Thesaurus Topics

  • Abstracts
  • Agreements
  • Boundaries
  • Coefficients
  • Diatomic Molecules
  • Experimental Data
  • Molecules
  • Probability
  • Transitions

Readers

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