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. 2020 Sep 8;13(18):3979. doi: 10.3390/ma13183979
BLA bond length alternation
CDFT Constrained Density Functional Theory
DFT Density Functional Theory
DOS density of states
FFT Fast Fourier Transform
RT-TDDFT Real-Time Time-Dependent Density Functional Theory
TB Tight Binding
TBI TB wire model
TBImod a crude modification of TB wire model
TBImodt4times TBImod with four times greater transfer parameters
TDDFT time-dependent DFT
TDKS time-dependent Kohn-Sham