Electronic responses of long chains to electrostatic fields: Hartree-Fock vs. density-functional theory: A model study
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4864038
Reference62 articles.
1. Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains
2. Erratum: “Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains” [J. Chem. Phys. 109, 10489 (1998)]
3. Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper)polarizabilities of Push−Pull π-Conjugated Systems
4. Electric Field Dependence of the Exchange-Correlation Potential in Molecular Chains
5. Ultranonlocality in Time-Dependent Current-Density-Functional Theory: Application to Conjugated Polymers
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