DMRG Calculations of the Low-lying Excitations and Nonlinear Optical Properties of poly(para-phenylene)
The two state molecular orbital (2-MO) model of the phenyl based semiconductors is used to calculate the low-lying spectra of the Ag and Bu states of poly(para-phenylene) (PPP). The model parameters are determined by fitting its predictions to exact Pariser-Parr-Pople model calculations of benzene a...
| المؤلفون الرئيسيون: | , , |
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| التنسيق: | Journal article |
| منشور في: |
1998
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