Adiabatic versus diabatic approach to multichannel Coulomb scattering for mutual neutralisation reaction H+ + H- -> H*(2) -> H(1) + H(n)

• 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.

Subject headings

NATURVETENSKAP  -- Kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Keyword

Quantum scattering

Finite element

Potential-splitting

Adiabatic representation

Diabatic representation

Publication and Content Type

ref (subject category)

art (subject category)