Potential energy surfaces for BeH2 and BH2
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The diatomics-in-molecules method has been used to obtain potential energy surfaces (PES) for the molecules BeH2 and BH2. The method is used in a way proposed by Tully . The present paper contains an analysis of some features of PES in the vicinity of their crossing near linear configurations of the molecules.
Key wordsBeH2 and BH2, potential energy surfaces of ∼
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