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cond-mat.mes-hall2010★ 9 cited
Mini-bandstructure tailoring in pi-conjugated periodic block copolymers employing the envelope crystalline-orbital method
Cesar A. Mujica-Martinez, Julio C. Arce
A strategy for the systematic design of polymeric superlattices with tailor-made mini-bandgaps and carrier mini-effective masses is described and computationally implemented by mea…
cond-mat.mes-hall2010★ 1 cited
Envelope molecular-orbital theory of extended systems I. Electronic states of organic quasi-linear nano-heterostructures
Julio C. Arce, Alejandro Perdomo-Ortiz, Martha L. Zambrano +1
A conceptually appealing and computationally economical course-grained molecular-orbital (MO) theory for extended quasi-linear molecular heterostructures is presented. The formalis…