New Materials Design

Abstract

This report discusses high energy density matter: polyhedral oligomeric silsesquioxanes (POSS), non-linear optical materials. Also, theoretical methods and benchmarks are discussed: ab initio electronic structure theory, nuclear-electronic orbital approach, and centroid molecular dynamics.

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Document Details

Document Type
Technical Report
Publication Date
May 17, 2002
Accession Number
ADA410667

Entities

People

  • Jerry A. Boatz

Organizations

  • Air Force Research Laboratory

Tags

Communities of Interest

  • Weapons Technologies

DTIC Thesaurus Topics

  • Abstracts
  • Air Force
  • Air Force Research Laboratories
  • Contracts
  • Data Rights
  • Department Of Defense
  • Electronic Structure Theory
  • Export Controls
  • High Energy
  • Information Operations
  • Materials
  • Military Research
  • Molecular Dynamics
  • Optical Materials
  • Sensitivity
  • Shell Scripts
  • Specific Impulse

Fields of Study

  • Physics

Readers

  • Polymer Science and Technology
  • Quantum Chemistry

Technology Areas

  • Microelectronics
  • Space