The interaction potential surfaces for alkali-trimers.
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概要
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Semi-empirical potential energy surfaces for some alkali-trimer complexes have been calculated using the simplest form of London equation. In the calculations use has been made of two new exponential potentials for the singlet and triplet states of diatomic molecules. The calculated potential surfaces at small internuclear distances show shallow well extending into the entrance and exit valleys without an energy barrier. The complexes are seen to be stable over all configurations; they are most stable however in the linear symmetric configuration. The force constants corresponding to bending and stretching deformations have been calculated for homonuclear trimers only. It has been observed that unlike stretching, the bending deformations do not sensitively affect the energy variation of the ground state.
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