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
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
Journal title :
Synthetic Metals
