DFT | Density Functional Theory |
EDD | electron density distribution |
QTAIM | Quantum Theory of Atoms in Molecules |
BCP | bond critical point |
RCP | ring critical point |
LDA | Local Density Approximation |
GGA | Generalized Gradient Approximation method |
M-GGA | meta-GGA functional |
H-GGA | hybrid GGA functional |
HM-GGA | hybrid M-GGA functional |
DH-GGA | double-hybrid GGA functional |