Molecular Interactions and Properties with Many-Body Methods

Abstract

During the course of this research, CC/MBPT theories have been established as being among the most accurate available, and very efficient and generally applicable computer codes have been developed to perform CC/MBPT calculations. These methods have been employed for the first time in large scale ab initio calculations of potential energy surfaces. Two of the papers produced in this research have been identified by authorities as being among the most influential papers in the 50-year history of computational quantum chemistry, and four have been identified by Current Contents as qualifying as science citation classics. (jes)

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Document Details

Document Type
Technical Report
Publication Date
Apr 17, 1990
Accession Number
ADA222631

Entities

People

  • Rodney J. Bartlett

Organizations

  • University of Florida

Tags

Communities of Interest

  • Counter WMD
  • Energy and Power Technologies
  • Weapons Technologies

DTIC Thesaurus Topics

  • Air Force
  • Chemistry
  • Computational Chemistry
  • Computational Science
  • Energy
  • Equations
  • First Principles Calculations
  • Molecules
  • Perturbation Theory
  • Perturbations
  • Physics
  • Potential Energy
  • Quantum Chemistry
  • Small Molecules
  • Spectra
  • Universities
  • Vibrational Spectra

Readers

  • Computational Modeling and Simulation
  • Quantum Chemistry
  • Technical Research and Report Writing.

Technology Areas

  • Quantum Computing