From uncoupled to coupled Hartree–Fock polarizabilities of infinite polymeric chains. Pariser–Parr–Pople applications to the polyacetylene chains
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.462337
Reference41 articles.
1. Calculation of linear and nonlinear electric susceptibilities of conjugated hydrocarbon chains
2. Polarizability calculations with the SCF method. I. Linear and dynamic polarizabilities of conjugated hydrocarbons and aromatics
3. Calculations of induced moments in large molecules. II. Polarizabilities and second hyperpolarizabilities of some polyenes
4. Prediction of longitudinal electric polarizabilities of conjugated chain molecules by scaling of abinitio calculations
5. Variational–perturbational treatment for the polarizabilities of conjugated chains. I. Theory and linear‐polarizabilities results for polyenes
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