| DMABN | 1,1-dimethylaminobenzonitrile |
| DD-vMCG | Direct dynamics variational multiconfigurational Gaussian |
| MCTDH | Multiconfigurational Time-dependent Hartree |
| CASPT2 | Complete active space perturbation theory to second order |
| TDDFT | Time-dependent density functional theory |
| LVC | Linear Vibronic Coupling |
| PES | Potential Energy Surface |
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