Title of article
Quantitative on-site repulsion U for the Ni(dmit)2 molecule: A DMRG study of the NR4[Ni(dmit)2]2 salts
Author/Authors
Doublet، نويسنده , , M.-L. and Granier، نويسنده , , F. and Lepetit، نويسنده , , M.-B.، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 1999
Pages
2
From page
2062
To page
2063
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.
Keywords
Quantum chemical methods and calculations , Organic conductors based on radical anion salts , Metalinsulator transitions
Journal title
Synthetic Metals
Serial Year
1999
Journal title
Synthetic Metals
Record number
2073001
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