Ab initio calculations of the optical absorption spectra of C60-conjugated polymer hybrids
Abstract
A recently developed linear-scaling density-functional theory (LS-DFT) formalism is used to calculate
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* Corresponding authors
a
Laboratoire de simulation atomistique (L_Sim), SP2M, UMR-E CEA/UJF-Grenoble 1, INAC, Grenoble, France
E-mail:
laura.ratcliff@cea.fr
b Departments of Physics and Materials, Imperial College London, London, UK
A recently developed linear-scaling density-functional theory (LS-DFT) formalism is used to calculate
L. E. Ratcliff and P. D. Haynes, Phys. Chem. Chem. Phys., 2013, 15, 13024 DOI: 10.1039/C3CP52043A
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