Molecular Quantum Mechanics: Analytic Gradients and Beyond - Program and Abstracts

Abstract

This publication contains conference paper and poster abstracts on the following general topics: Techniques of molecular quantum mechanics; Analytic derivatives; Electron correlation; Structure and spectroscopy; Dynamics and reactions.

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Document Details

Document Type
Technical Report
Publication Date
Jun 03, 2007
Accession Number
ADA504152

Entities

People

  • Attila G. Császár
  • Geza Fogarasi
  • Henry F. Schaefer
  • Peter G. Szalay

Organizations

  • Office of Naval Research

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Chemical Analysis
  • Chemical Reactants
  • Chemical Reaction Properties
  • Chemical Reactions
  • Chemical Synthesis
  • Chemistry
  • Computational Chemistry
  • Computational Chemistry Methods
  • Computational Science
  • First Principles Calculations
  • Materials Science
  • Molecular Dynamics
  • Molecular Physics
  • Organic Chemistry

Readers

  • Academic Conference Management
  • Quantum Chemistry

Technology Areas

  • Microelectronics
  • Quantum Computing