Data Analysis for Rotationally Resolved Spectra: A Simulated Annealing Approach

Abstract

A new method for the analysis of rotationally resolved spectra is presented. The method employs a simulated annealing algorithm with two modifications. First, the standard simulated annealing process is extended to take advantage of parallel computing. Second, rather than using a continuous random search of the parameter space, at distinct intervals new optimization processes are started at points in parameter space that have promising X2 values. Together these modifications make more efficient use of computer time than a standard simulated annealing approach. The technique is applied to the analysis of simulated data as well as real high resolution experimental spectra to demonstrate the effectiveness of the parallel simulated annealing algorithm.

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Document Details

Document Type
Technical Report
Publication Date
May 29, 1992
Accession Number
ADA251285

Entities

People

  • Julian M. Hjortshoj
  • Laura A. Philips

Organizations

  • Cornell University Department of Chemistry and Chemical Biology

Tags

Communities of Interest

  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Accuracy
  • Acquisition
  • Algorithms
  • Chemistry
  • Computers
  • Convolution
  • Data Acquisition
  • Data Analysis
  • Experimental Data
  • Ground State
  • High Resolution
  • Infrared Spectra
  • Military Research
  • Plastic Explosives
  • Probability
  • Quantum Numbers
  • Spectra

Readers

  • Computational Modeling and Simulation
  • Molecular Photonics/Laser Physics
  • Operations Research

Technology Areas

  • Space