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• W1971210040 abstract "The method of diatomics-in-molecules (DIM) which constructs the hamiltonian matrix semi-empirically from known atomic and diatomic fragment energy data, is used to generate approximate 3D potential energy hypersurfaces and non-adiabatic coupling coefficients for the system (HeHH)+. To reduce the size of the matrices, a heuristic truncation of the basis set is proposed. The resulting potentials for the two lower excited electronic states are discussed with respect to inelastic scattering and dissociative charge-transfer in collisions He+ + H2." @default.
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• W1971210040 date "1979-11-01" @default.
• W1971210040 modified "2023-09-30" @default.
• W1971210040 title "Approximate diatomics-in-molecules potential energy surfaces and non-adiabatic coupling for He+ + H2" @default.
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• W1971210040 doi "https://doi.org/10.1016/0009-2614(79)85212-4" @default.
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