Title of article :
Molecular orbital models of poly(p-phenylene)
Author/Authors :
Daly، نويسنده , , H. and Barford، نويسنده , , W. and Bursill، نويسنده , , R.J.، نويسنده ,
Issue Information :
دوماهنامه با شماره پیاپی سال 1999
Abstract :
A two molecular orbital model of poly(para-phenylene) based on the under-lying Pariser-Parr-Pople model is introduced. The model is solved using the density matrix renormalisation group method for oligomers of up to 15 repeat units.
Keywords :
semi-empirical models and calculations , poly(para-phenylene) and derivatives
Journal title :
Synthetic Metals
Journal title :
Synthetic Metals
