Assessment of recently developed density functional approaches for the evaluation of the bond length alternation in polyacetylene
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference35 articles.
1. The effects of electron correlation on the degree of bond alternation and electronic structure of oligomers of polyacetylene
2. Conjugated polymers and oligomers: Designing novel materials using a quantum-chemical approach
3. Experimental Demonstration of the Dependence of the First Hyperpolarizability of Donor-Acceptor-Substituted Polyenes on the Ground-State Polarization and Bond Length Alternation
4. Electric Field Modulated Nonlinear Optical Properties of Donor-Acceptor Polyenes: Sum-Over-States Investigation of the Relationship between Molecular Polarizabilities (.alpha., .beta., and .gamma.) and Bond Length Alternation
5. Large Quadratic Hyperpolarizabilities with Donor–Acceptor Polyenes Exhibiting Optimum Bond Length Alternation: Correlation Between Structure and Hyperpolarizability
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