Quantum Chemistry Based Methods of Modeling of Clusters and their Applications to the Problems of Gasdynamics

Abstract

Different methods of calculation of clusters are concerned from the quantum chemistry point of view. Results obtained with the help of these methods for carbon, water sulfur, alkane are discussed. On the base of this discussion an effort is made to classify the gasdynamics problems in which clusters play a role and to propose the proper quantum chemistry method for each class of problems.

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Document Details

Document Type
Technical Report
Publication Date
Jul 09, 2000
Accession Number
ADA400888

Entities

People

  • E. A. Plekhanov

Tags

Communities of Interest

  • Air Platforms
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Abstracts
  • Chemistry
  • Energy
  • Energy Levels
  • Equations
  • First Principles Calculations
  • Gas Dynamics
  • High Resolution
  • Molecules
  • Perturbation Theory
  • Physical Chemistry
  • Potential Energy
  • Quantum Chemistry
  • Rarefied Gas Dynamics
  • Rarefied Gases
  • Solid State Physics
  • Supersonic Aircraft

Fields of Study

  • Chemistry

Readers

  • Fluid Dynamics.
  • Quantum Chemistry
  • Theoretical Analysis.

Technology Areas

  • Quantum Computing