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. 2021 Jul 13;26(14):4245. doi: 10.3390/molecules26144245
TDM Transition density matrix
FTDM Fraction of transition density matrix
CT Charge transfer
MO Molecular orbital
AO Atomic orbital
NTO Natural transition orbital
DFT Density functional theory
TD-DFT Time-dependent density functional theory
ADC(2) Algebraic diagrammatic construction through second order
CC2 The second-order approximate coupled cluster singles and doubles model
CIS Configuration interaction singles
HOMO Highest occupied molecular orbital
LUMO Lowest unoccupied molecular orbital
SI Supporting Information