Quantitative on-site repulsion U for the Ni(dmit)2 molecule: A DMRG study of the NR4[Ni(dmit)2]2 salts

Authors :: F. Granier
Marie-Liesse Doublet
Marie-Bernadette Lepetit
Source :: Synthetic Metals. 103:2062-2063
Publication Year :: 1999
Publisher :: Elsevier BV, 1999.
Abstract: The present work investigates the quasi-1D transport properties of the Ni (dmit) 2 -based compounds within a correlated, t-J model using the DMRG method. Strongly and weakly dimerized chains are studied by means of charge gap calculations ( IP-EA ) in order to extract the effective on-site repulsion term U for the Ni (dmit) 2 molecule.

Subjects :: Density matrix
Condensed matter physics
Chemistry
Mechanical Engineering
Density matrix renormalization group
Metals and Alloys
Charge (physics)
Condensed Matter Physics
Electronic, Optical and Magnetic Materials
Crystallography
Mechanics of Materials
t-J model
Materials Chemistry
Molecule

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