Search Results - "Born–Oppenheimer approximation"

Calculations of electron scattering from H2+ by Zammit, Mark, Fursa, Dmitry, Bray, Igor

“…We have extended the convergent close-coupling method to investigate electron scattering from the vibrationally excited molecular hydrogen ion H2+, within the Born-Oppenheimer approximation. Results are presented for proton-production and dissociative-ionization cross sections. …”
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Simulating relaxation channels of CO2 in clathrate canocages by Dahoo, P., Puig, R., Lakhlifi, A., Meis, C., Gale, Julian

“…The energy levels of CO2 in the small (s) and large (l) nano-cages of cubic sI clathrates are calculated in the Born-Oppenheimer approximation using pairwise atom-atom interaction potentials. …”
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Investigating CH4Thermal Activation in Clathrate Nanocages by Lakhlifi, A., Dahoo, P., Meis, C., Gale, Julian

“…The energy levels of methane molecule trapped, at low temperature, in small (s) and large (l) nano-cages of cubic sI clathrates are calculated in the Born-Oppenheimer approximation using the Extended Lakhlifi-Dahoo model based on pairwise atom-atom effective interaction potentials. …”
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State-resolved Photodissociation and Radiative Association Data for the Molecular Hydrogen Ion by Zammit, M., Savage, J., Colgan, J., Fursa, Dmitry, Kilcrease, D., Bray, Igor, Fontes, C., Hakel, P., Timmermans, E.

“…We developed a fully quantum mechanical approach within the nonrelativistic Born-Oppenheimer approximation to describe H 2 + and calculate the data for transitions between the ground electronic state 1ss g and the 2ps u , 2pp u , 3ps u , 3pp u , 4ps u , 4fs u , 4fp u , and 4pp u electronic states (i.e., up to H 2 + n = 4). …”
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