Adiabatic versus diabatic approach to multichannel Coulomb scattering for mutual neutralisation reaction H+ + H- -> H*(2) -> H(1) + H(n)
Number of Authors: 4
2015 (English)In: Chemical Physics, ISSN 0301-0104, E-ISSN 1873-4421, Vol. 462, 57-64 p.Article in journal (Refereed) Published
In this paper it is demonstrated that the split-potential driven Schrodinger approach to two-body Coulomb multichannel quantum scattering in a diabatic framework presented by us in a previous paper (Volkov et al., 2011) also can be formulated within an adiabatic framework. The new formulation of the theory is numerically realised using finite element discrete variable representation. The method is applied to a realistic model of the fundamental mutual neutralisation reaction H+ + H- -> H*(2) -> H(1) + H(n) described in terms of the seven lowest (1)Sigma(+)(g) electronic states of the H-2 molecule. The obtained cross sections are in good agreement with other methods applied to the same model.
Place, publisher, year, edition, pages
2015. Vol. 462, 57-64 p.
Quantum scattering, Finite element, Potential-splitting, Adiabatic representation, Diabatic representation
Chemical Sciences Physical Sciences
IdentifiersURN: urn:nbn:se:su:diva-124739DOI: 10.1016/j.chemphys.2015.07.008ISI: 000365034300010OAI: oai:DiVA.org:su-124739DiVA: diva2:893310