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- W1618184012 abstract "The potential energy surface of the ground state of the He-MnH(X (7)Sigma(+)) van der Waals complex is presented. Within the supermolecular approach of intermolecular energy calculations, a grid of ab initio points was computed at the multireference configuration interaction level using the aug-cc-pVQZ basis set for helium and hydrogen and the relativistic aug-cc-pVQZ-DK basis set for manganese. The potential energy surface was then fitted to a global analytical form which main features are discussed. As a first application of this potential energy surface, we present accurate calculations of bound energy levels of the (3)He-MnH and (4)He-MnH complexes." @default.
- W1618184012 created "2016-06-24" @default.
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- W1618184012 date "2010-06-03" @default.
- W1618184012 modified "2023-10-18" @default.
- W1618184012 title "The interaction of MnH(X Σ7+) with He: <i>Ab initio</i> potential energy surface and bound states" @default.
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- W1618184012 doi "https://doi.org/10.1063/1.3432762" @default.
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