The Low-lying excited states of HeH have been calculated by arrangement channel quantum mechanics(ACQM),The calculated potential curves,equilibrium geometry,Rc.dissociation energy Dc.harmonic vibration frequency ω0 a...The Low-lying excited states of HeH have been calculated by arrangement channel quantum mechanics(ACQM),The calculated potential curves,equilibrium geometry,Rc.dissociation energy Dc.harmonic vibration frequency ω0 and quadratic force coustant F2 are comparable with Ci calculations.展开更多
Classical trajectories have been calculated for the reaction C+CH→C_(2)+H using many-body expansion(MBE)potential energy function of C_(2)H.The present work gives the reactive cross sections at relative kinetic energ...Classical trajectories have been calculated for the reaction C+CH→C_(2)+H using many-body expansion(MBE)potential energy function of C_(2)H.The present work gives the reactive cross sections at relative kinetic energy of 1.0,7.5,13.0,20.0and 30.0 kcal,From which it is found that this is a reaction without energy thres-hold.展开更多
文摘The Low-lying excited states of HeH have been calculated by arrangement channel quantum mechanics(ACQM),The calculated potential curves,equilibrium geometry,Rc.dissociation energy Dc.harmonic vibration frequency ω0 and quadratic force coustant F2 are comparable with Ci calculations.
文摘Classical trajectories have been calculated for the reaction C+CH→C_(2)+H using many-body expansion(MBE)potential energy function of C_(2)H.The present work gives the reactive cross sections at relative kinetic energy of 1.0,7.5,13.0,20.0and 30.0 kcal,From which it is found that this is a reaction without energy thres-hold.
