Molecular Interactions with Many-Body Perturbation Theory.

Abstract

Very efficient computer codes to perform many-body perturbation theory (MBPT) and coupled cluster method (CCM) calculations have been written and employed for the first time in large-scale ab initio calculations of potential energy surfaces. (Author)

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Document Details

Document Type
Technical Report
Publication Date
Sep 11, 1981
Accession Number
ADA107616

Entities

People

  • Rodney J. Bartlett

Organizations

  • Battelle Memorial Institute

Tags

Communities of Interest

  • Biomedical
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Accuracy
  • Chemistry
  • Computational Chemistry
  • Computational Chemistry Methods
  • Computational Science
  • Computations
  • Computer Programs
  • Computers
  • Decomposition
  • Dissociation
  • Equations
  • Geometry
  • Perturbation Theory
  • Physical Chemistry
  • Physics
  • Physics Laboratories
  • Quantum Chemistry

Fields of Study

  • Physics

Readers

  • Computer Science.
  • Quantum Chemistry