DFT	Density Functional Theory
CPMD	Car–Parrinello Molecular Dynamics
PT	Proton Transfer
AIM	Atoms In Molecules
SAPT	Symmetry-Adapted Perturbation Theory
NQE	Nuclear Quantum Effects
RAHB	Resonance-Assisted Hydrogen Bond
PES	Potential Energy Surface
MP2	Møller–Plesset second-order perturbation theory
CCSD	Coupled Clusters with Singles and Doubles
BCP	Bond Critical Point
RCP	Ring Critical Point
BSSE	Basis Set Superposition Error
FPMD	First-Principle Molecular Dynamics
PBCs	Periodic Boundary Conditions