Journal of Physics B Atomic Molecular and Optical Physics · 1996 · 12 citations · 18 references
Natural SciencesChemistryPhysicsComputational ChemistryCondensed Matter PhysicsQuantum ChemistryAb Initio MethodsAtomic PolarizabilityComputational Quantum ChemistryDensity Functional TheoryMolecular SymmetryOrganic Electronic MaterialsAb Initio Polarizability CalculationsElectric Dipole PolarizabilityFullerenesPolarizability EffectsPolarizability Prediction
The third-order polarizabilities of substituted fullerenes are calculated by using the Su - Schrieffer - Heeger (SSH) model and the sum-over-states (SOS) approach. Numerical results show that there are larger static polarizabilities and resonant peaks in than those in X. For , the highest peak value of (at eV) is found to be about two orders larger than that for B, which may be important for its practical use.
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