Nonlinear Optical Properties of Molecules

Abstract

Final summary report on calculations of nonlinear optical properties at Memphis State University. Finite-field methods for static values and TDHF methods for frequency dependent quantities are implemented. Results are summarized for polyene oligomers with emphasis on their behavior as the number of subunits is increased. The usefulness of a relationship for the calculation of one type of hyperpolarizability in terms on an other is demonstrated by example for the CH20 molecule. Other results on intermolecular effects on hyperpolarizabilities and vibrational contributions are also discussed. Nonlinear optical properties, Hyperpolarizabilities.

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Document Details

Document Type
Technical Report
Publication Date
Aug 31, 1993
Accession Number
ADA270199

Entities

People

  • Henry A. Kurtz

Organizations

  • University of Memphis

Tags

Communities of Interest

  • Energy and Power Technologies
  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Alkenes
  • Chemical Synthesis
  • Chemistry
  • Computational Chemistry Methods
  • Dispersions
  • Electric Fields
  • Equations
  • First Principles Calculations
  • Frequency
  • Molecules
  • Oligomers
  • Optical Properties
  • Organic Chemistry
  • Polymers

Readers

  • Quantum Chemistry
  • Technical Research and Report Writing.