| AO | atomic orbital |
| C-DFT | Conceptual Density Functional Theory |
| DFT | Density Functional Theory |
| EA | electron affinity |
| EF | electric field |
| IP | ionization potential |
| KS | Kohn–Sham |
| LRF | Linear Response Function |
| MO | molecular orbital |
| NTO | Natural Transition Orbital |
| QTAIM | Quantum Theory of Atoms-in-Molecules |
| RS | Rayleigh–Schrödinger |
| TDA | Tamm–Dancoff Approximation |