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Determination of resonance energies and nonradiative lifetimes of rotationally predissociating diatomic molecules: The B 2 Σ − state of CH
Author(s) -
Hehenberger Michael,
Elander Nils
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560120834
Subject(s) - diatomic molecule , resonance (particle physics) , molecule , state (computer science) , atomic physics , rotation (mathematics) , chemistry , physics , quantum mechanics , mathematics , geometry , algorithm
LeRoy and Bernstein's method for the treatment of resonances due to predissociation by rotation in diatomic molecules is compared with the Weyl‐Titchmarsh‐Riccati technique. Results are given for the B 2 Σ − state of the CH radical represented by a model potential iteratively constructed from spectroscopic data.