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- W1996393424 abstract "The diatomics-in-molecules (DIM) method requires information about the wavefunction (i.e. mixing coefficients) and the energy of various states of diatomic fragments. We show here that, if the diatomic energy is obtained from experiment, then it is also important to correct the mixing coefficients by making use of experimental atomic state energies. This point is illustrated by application to the OH+(3Σ−) state manifold." @default.
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- W1996393424 date "1983-02-01" @default.
- W1996393424 modified "2023-09-27" @default.
- W1996393424 title "Semi-empirical corrections to the mixing coefficients for the diatomics-in-molecules method" @default.
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- W1996393424 doi "https://doi.org/10.1016/0301-0104(83)85009-5" @default.
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