A bottom-up valence bond derivation of excitation energies in 1D-like delocalized systems
Abstract
Using the chemically relevant parameters hopping integral
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* Corresponding authors
a
Centre d'Investigació en Nanociència i Nanotecnologia (ICN-CSIC), UAB Campus, E-08193 Bellaterra, Spain
E-mail:
mikael.kepenekian@cin2.es
b
Laboratoire de Chimie Quantique, Institut de Chimie UMR 7177, CNRS and Université de Strasbourg, 4 rue Blaise Pascal, 67000 Strasbourg, France
E-mail:
vrobert@unistra.fr
c
Laboratoire de Physique Quantique, IRSAMC/UMR 5626, Université Paul Sabatier, 118 route de Narbonne, 31062 Toulouse Cedex 4, France
E-mail:
jean-paul.malrieu@irsamc.ups-tlse.fr
Using the chemically relevant parameters hopping integral
M. Kepenekian, V. Robert, C. Boilleau and J. Malrieu, Phys. Chem. Chem. Phys., 2012, 14, 1381 DOI: 10.1039/C1CP23390D
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