Nonlinear optical materials : theory and modeling : developed from a symposium sponsored by the Division of Computers in Chemistry at the 208th National meeting of the American Chemical Society, Washington, DC, August 21-25, 1994

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Nonlinear optical materials : theory and modeling : developed from a symposium sponsored by the Division of Computers in Chemistry at the 208th National meeting of the American Chemical Society, Washington, DC, August 21-25, 1994

Shashi P. Karna, Alan T. Yeates

(ACS symposium series, 628)

American Chemical Society, 1996

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Includes bibliographical references and indexes

Description and Table of Contents

Description

Provides an overview of the theoretical aspects of nonlinear optical materials design. Examines the quantum mechanical theory of nonlinear optical phenomena. Discusses first principles and both semi-empirical and model Hamiltonian calculations of linear optical properties. Examines theoretical modelling of organic and polymeric nonlinear optical materials.

Table of Contents

  • Nonlinear Optical Materials: Theory and Modeling
  • Can Quantum Chemistry Provide Reliable Molecular Hyperpolarizabilities?
  • Calculation of Nonlinear Optical Properties of Conjugated Polymers
  • Sum-Over-State Representation of Nonlinear Response Properties in Time-Dependent Hartree-Fock Theory: The Role of State Truncation
  • Early Theoretical Studies of Third-Order Nonlinear Electric Susceptibilities
  • Effect of Higher Excited Configurations on the Linear and Nonlinear Optical Properties of Organic Molecules
  • Frequency-Dependent Polarizabilities and Hyperpolarizabilities of Polyenes
  • Optical Properties from Density-Functional Theory
  • A Combined Hartree-Fock and Local-Density-Functional Method To Calculate Linear and Nonlinear Optical Properties of Molecules
  • Theory of Nonlinear Optical Properties of Quasi-1D Periodic Polymers
  • Model Hamiltonians for Nonlinear Optical Properties of Conjugated Polymers
  • Semiempirical Quantum Cell Models for the Third-Order Nonlinear Optical Response of Conjugated Polymers
  • Multiphoton Resonant Nonlinear Optical Processes in Organic Molecules

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