Rotation-vibrational energies for some diatomic molecules with improved Rosen–Morse potential in D-dimensions
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-019-4040-5
Abstract: By using the Nikiforov–Uvarov method, we solve the Schrödinger equation for the improved Rosen–Morse potential model in D spatial dimensions. We obtained the rotation-vibrational energies and the wave function, respectively. The ro-vibrational energies spectral of… read more here.
Keywords: morse potential; rosen morse; improved rosen; energies diatomic ... See more keywords
A Phase-Space View of Vibrational Energies without the Born-Oppenheimer Framework.
Sign Up to like & getrecommendations! Published in 2024 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.4c01294
Abstract: We show that following the standard mantra of quantum chemistry and diagonalizing the Born-Oppenheimer (BO) Hamiltonian ĤBO(R) is not the optimal means to construct potential energy surfaces. A better approach is to diagonalize a phase-space… read more here.
Keywords: chemistry; phase space; vibrational energies; born oppenheimer ... See more keywords