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One-dimensional cuts through multidimensional potential-energy surfaces by tunable x rays
2018
Physical Review A
The concept of the potential energy surface (PES) and directional reaction coordinates is the backbone of our description of chemical reaction mechanisms. Although the eigenenergies of the nuclear Hamiltonian uniquely link a PES to its spectrum, this information is in general experimentally inaccessible in large polyatomic systems. This is due to (near) degenerate ro-vibrational levels across the parameter space of all degrees of freedom, which effectively forms a pseudospectrum given by the
doi:10.1103/physreva.97.053410
fatcat:jlhsudc4draapobhvx3invexaa