TD-DFT	Time-dependent density functional theory
ADF	Amsterdam Density Functional
DMA	Dimethylaniline
Pyr	Pyrene
NHX	N-hexane
ACN	Acetonitrile
DEE	Diethyl ether
CS	Charge separation
CR	Charge recombination
ISC	Intersystem crossing
CT	Charge transfer
SO-ISC	Spin–orbit coupling intersystem crossing
SOCT-ISC	Spin–orbit charge transfer intersystem crossing
MO	Molecular orbital
SOC	Spin–orbit coupling
SOCME	Spin–orbit coupling matrix element
GS	Ground state
LE	Local excitation
Tn	Triplet (state)
Sn	Singlet (state)
nCS	Charge separated (state)
$V_{CT}$	Electronic coupling
$V_{SOC}$	Spin–orbit coupling
$T$	Temperature
$\hslash$	Reduced Planck constant
$k_B$	Boltzmann constant
$c$	Speed of light
$\lambda$	Reorganization Energy
$\tau$	Lifetime of a state
PES	Potential Energy Surface
$\Delta G$	Gibbs free energy
$S$	Huang–Rhys factor
FCWD	Frank Condon Weighted Density
$f_{SOC}$	Oscillator strength
TDA	Tamm–Dancoff approximation
NTO	Natural Transition Orbital
COSMO	Conductor-like screening model
ZORA	Zero-order regular approximation