Massively Parallel Complete Active Space Self Consistent Field Molecular Dynamics

Abstract

This report briefly summarizes the research developments in ab initio dynamics made possible by this augmentation award to the parent ONR grant. A full description of the research accomplishments will appear in the final technical report of the parent grant (due 14 March 1998).

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Document Details

Document Type
Technical Report
Publication Date
Sep 10, 1997
Accession Number
ADA333494

Entities

People

  • Emily A. Carter

Organizations

  • University of California, Los Angeles

Tags

DTIC Thesaurus Topics

  • Agreements
  • Asian Americans
  • Chemical Reactions
  • Chemistry
  • Computational Science
  • Computer Simulations
  • Department Of Defense
  • Dynamics
  • Electronic Structure Theory
  • Equation-Based Simulations
  • Mean Field Theory
  • Military Research
  • Molecular Dynamics
  • Simulations
  • Students

Fields of Study

  • Physics

Readers

  • Quantum Chemistry
  • Technical Research and Report Writing.

Technology Areas

  • Space