科研之友
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摘要
Based on the general principle of Atomic and Molecular Reaction Statics (AMRS),the correct electronic states and the reasonable dissociation limits for the ground states of diatomics UO,UC,UN and UH are derived.By using the MP2(the HF calculation followed by a second order Moller Plesset correlation) method of Gaussian94W program and the RECP potential(the relativistic effective core potential) for U and basis 6 311G or 6 31G basis set for light atoms(O,C,N,H),the equilibrium geometry,dissociatio...
