| 4 | A procedure of determining potential energy surfaces of triatomic molecules from inversion of spectroscopic data显示文摘In this paper,we have suggested an iterative procedure of optimization of the linearparameters in an analytic potential energy function for a triatomic molecule,by combining both variational and second order perturbation methods.The most important feature of this procedure is that the objective function is an analytical expression which can be optimized easily.The application to the water molecule is presented. | Xie, DQ Yan, GS Tian, AM | 1995 | Chinese Journal of Chemistry1995，13，6： | 0 |
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