Extraction of High Quality Potential Surfaces from Laboratory Data.

Abstract

This AASERT project has explored the capability of a new tracking-based algorithm for extracting high quality potential surfaces from time-dependent laboratory data. The algorithm is based on a special inversion technique for tracking the temporal data as a means to extract its underlying potential surface information. The basic concepts for the algorithm have now been developed and successfully tested in several simulations. An attractive feature of the algorithm is its parallel structure with quantum mechanical control techniques, thus ultimately opening up the prospect of combining control and inversion of molecular dynamics into a single cooperative laboratory-based venture.

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Document Details

Document Type
Technical Report
Publication Date
Oct 15, 1996
Accession Number
ADA317239

Entities

People

  • Herschel A. Rabitz

Organizations

  • Princeton University

Tags

Communities of Interest

  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Air Force
  • Algorithms
  • Chemistry
  • Computational Science
  • Diatomic Molecules
  • Dipole Moments
  • Dynamics
  • Electron Diffraction
  • Equations
  • Extraction
  • Integral Equations
  • Integrals
  • Inverse Problems
  • Inversion
  • Molecules
  • Simulations
  • X Rays

Readers

  • Computational Modeling and Simulation
  • Research Science/Academic Research
  • Theoretical Analysis.

Technology Areas

  • Quantum Computing