On the validity of the Born-Oppenheimer approximation in the indirect dissociative recombination process
| Autor: | ��ur��k, Roman, Hvizdo��, D��vid, Greene, Chris H. |
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| Rok vydání: | 2018 |
| Předmět: | |
| DOI: | 10.48550/arxiv.1810.09124 |
| Popis: | An alternative method is introduced to solve a simple two-dimensional models describing vibrational excitation and dissociation processes during the electron-molecule collisions. The model works with one electronic and one nuclear degree of freedom. The two-dimensional $R$-matrix can be constructed simultaneously on the electronic and nuclear surfaces using all three forms developed previously for electron-atom and electron-molecule collisions. These are the eigenchannel $R$-matrix form, inversion technique of Nesbet and Robicheaux, and the Wigner-Eisenbud-type form using expansion over the poles of the symmetrized Hamiltonian. The 2D $R$-matrix method is employed to solve a simple model tailored to describe the dissociative recombination and the vibrational excitation of H$_2^+$ cation in the singlet ungerade symmetry $^1��_u$. These results then serve as a (near-exact) benchmark for the following calculation in which the $R$-matrix states are replaced by their Born-Oppenheimer approximations. The accuracy of this approach and its correction with the first-order nonadiabatic couplings are discussed. 11 pages, 9 figures |
| Databáze: | OpenAIRE |
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