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Codes to predict DoS of a polymer chain in vacuum with a one-dimensional tightbinding (Huckel model).
The codes are still slightly dependent on the 'pythtb' module from Rutgers university (http://physics.rutgers.edu/pythtb/). Almost none of this library is used, but it's definitely recommended if you're interested in tight binding!
You can try and install this library automatically by pip,
pip install pythtbCodes written by Jarvist Moore Frost 2012-2014.
Work based on this code was presented at MRS Boston 2012 (O8.08), slides arehere:https://speakerdeck.com/jarvist/beta-phase
The code should produce live plots like this:
The continuation of this work (2013 onwards), including a Sturm-sequency based linear-in-time and constant-in-memory 1D Hamiltonian solver was continued in the Julia language elsewhere:https://github.com/jarvist/Teclo.jl
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Codes to predict DoS of a polymer chain in vacuum with Python Tightbinding (Huckel model)