| 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 |