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- W2471920314 abstract "The first-order exchange energy is calculated for a number of geometrical configurations of H2...H2 dimers via the Symmetry Adapted Perturbation Treatment (SAPT). The basis-set dependence on the calculated value of this component is discussed. The first-order exchange-energy is shown to be quite strongly direction-dependent. Analytical potentials we propose take this anisotropy into account." @default.
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- W2471920314 date "1991-01-01" @default.
- W2471920314 modified "2023-09-25" @default.
- W2471920314 title "Anisotropy of first-order exchange (repulsion) term in different H2 . . H2 dimers" @default.
- W2471920314 doi "https://doi.org/10.1051/jcp/1991882387" @default.
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