UNO DMRG CASCI calculations of effective exchange integrals for m-phenylene-bis-methylene spin clusters
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DOI: 10.1080/00268976.2017.1301586
Abstract: ABSTRACT Theoretical examinations of the ferromagnetic coupling in the m-phenylene-bis-methylene molecule and its oligomer were carried out. These systems are good candidates for exchange-coupled systems to investigate strong electronic correlations. We studied effective exchange integrals… read more here.
Keywords: casci; bis methylene; effective exchange; dmrg casci ... See more keywords