Cameron Khan
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View article: A phase-space view of vibrational energies without the Born-Oppenheimer framework
A phase-space view of vibrational energies without the Born-Oppenheimer framework Open
We show that following the standard mantra of quantum chemistry and diagonalizing the Born-Oppenheimer (BO) Hamiltonian $\hat H_{\rm BO}(\bm R)$ is not the optimal means to construct potential energy surfaces. A better approach is to diago…