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- W2184014512 abstract "We investigate theoretically the electronic structure of I P CO and IP OCS van der Waals complexes including spin-orbit 2 interaction. For the T-shaped geometry of I P CO , we calculate the potentials using a fully polyatomic treatment and 2 compare the results to the widely used pseudo-diatomic approximation. The latter becomes increasingly invalid at I-CO2 ˚ distances shorter than 4 A. We calculate the potentials of linear I P SCO and IP OCS, and analyze the zero-order electronic structure of nonlinear I P OCS. We also discuss the validity of treating the spin-orbit interaction in I P CO and IP OCS as an 2" @default.
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- W2184014512 date "1999-01-01" @default.
- W2184014512 modified "2023-09-27" @default.
- W2184014512 title "complexes: beyond the pseudo-diatomic approximation" @default.
- W2184014512 hasPublicationYear "1999" @default.
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